CID 171118600

14-methyldocos-(3z)-en-1-yn-5,6-diol

Structural Information

Molecular Formula
C23H42O2
SMILES
CCCCCCCCC(C)CCCCCCCC(C(/C=C\C#C)O)O
InChI
InChI=1S/C23H42O2/c1-4-6-8-9-11-14-17-21(3)18-15-12-10-13-16-20-23(25)22(24)19-7-5-2/h2,7,19,21-25H,4,6,8-18,20H2,1,3H3/b19-7-
InChIKey
JNJCFXAINADHBA-GXHLCREISA-N
Compound name
(Z)-14-methyldocos-3-en-1-yne-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.31848 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.32576 191.9
[M+Na]+ 373.30770 194.2
[M-H]- 349.31120 186.8
[M+NH4]+ 368.35230 202.5
[M+K]+ 389.28164 188.8
[M+H-H2O]+ 333.31574 179.6
[M+HCOO]- 395.31668 200.6
[M+CH3COO]- 409.33233 220.4
[M+Na-2H]- 371.29315 186.0
[M]+ 350.31793 189.8
[M]- 350.31903 189.8
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.