CID 10967595

(z)-2-methoxy-13-methyltetradec-6-enoic acid

Structural Information

Molecular Formula
C16H30O3
SMILES
CC(C)CCCCC/C=C\CCCC(C(=O)O)OC
InChI
InChI=1S/C16H30O3/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(19-3)16(17)18/h5,7,14-15H,4,6,8-13H2,1-3H3,(H,17,18)/b7-5-
InChIKey
JLTGHGXRJSAWBG-ALCCZGGFSA-N
Compound name
(Z)-2-methoxy-13-methyltetradec-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.21948 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.22676 172.7
[M+Na]+ 293.20870 175.3
[M-H]- 269.21220 170.0
[M+NH4]+ 288.25330 188.3
[M+K]+ 309.18264 173.2
[M+H-H2O]+ 253.21674 166.6
[M+HCOO]- 315.21768 189.8
[M+CH3COO]- 329.23333 200.5
[M+Na-2H]- 291.19415 170.1
[M]+ 270.21893 176.8
[M]- 270.22003 176.8
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.