CID 14886146

Compound np-009002

Structural Information

Molecular Formula
C23H38O2
SMILES
CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)O
InChI
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h7-8,17,19-20,24-25H,2-6,9-16,18H2,1H3/b8-7-
InChIKey
FNLMCNKPGGHKQL-FPLPWBNLSA-N
Compound name
3-[(Z)-heptadec-10-enyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.28717 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29445 192.9
[M+Na]+ 369.27639 195.5
[M-H]- 345.27989 191.7
[M+NH4]+ 364.32099 205.2
[M+K]+ 385.25033 188.8
[M+H-H2O]+ 329.28443 185.2
[M+HCOO]- 391.28537 210.3
[M+CH3COO]- 405.30102 213.0
[M+Na-2H]- 367.26184 191.2
[M]+ 346.28662 197.0
[M]- 346.28772 197.0
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

patents stripe