CID 16061330

Nor-dolichoic acid-[13-22]

Structural Information

Molecular Formula
C24H40O2
SMILES
C[C@@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)O
InChI
InChI=1S/C24H40O2/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24(25)26/h11,13,15,17,23H,7-10,12,14,16,18H2,1-6H3,(H,25,26)/b20-13+,21-15+,22-17-/t23-/m0/s1
InChIKey
XKOAXHKWXLCOGH-YQUIFEAJSA-N
Compound name
(2S,5Z,9E,13E)-2,6,10,14,18-pentamethylnonadeca-5,9,13,17-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.30283 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.31011 200.3
[M+Na]+ 383.29205 200.3
[M-H]- 359.29555 196.6
[M+NH4]+ 378.33665 203.1
[M+K]+ 399.26599 195.3
[M+H-H2O]+ 343.30009 194.0
[M+HCOO]- 405.30103 199.2
[M+CH3COO]- 419.31668 220.4
[M+Na-2H]- 381.27750 190.2
[M]+ 360.30228 201.7
[M]- 360.30338 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.