CID 91697642

Knsryxhykidpgf-uhfffaoysa-n

Structural Information

Molecular Formula
C24H40O2
SMILES
CCCCCCCCCCC#CCOC(=O)CCCCCCCCC#C
InChI
InChI=1S/C24H40O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-26-24(25)22-20-18-16-12-10-8-6-4-2/h2H,3,5-18,20,22-23H2,1H3
InChIKey
KNSRYXHYKIDPGF-UHFFFAOYSA-N
Compound name
tridec-2-ynyl undec-10-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.30283 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.310106 181.6
[M+Na]+ 383.292048 187.5
[M-H]- 359.295554 181.0
[M+NH4]+ 378.336653 190.5
[M+K]+ 399.265988 182.2
[M+H-H2O]+ 343.300090 167.0
[M+HCOO]- 405.301031 188.4
[M+CH3COO]- 419.316681 232.7
[M+Na-2H]- 381.277496 178.7
[M]+ 360.30228142 178.9
[M]- 360.30337858 178.9
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.