CID 44575468

3-(10-heptadecenyl)phenol

Structural Information

Molecular Formula
C23H38O
SMILES
CCCCCC/C=C\CCCCCCCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-
InChIKey
BIEZSEGUHJMPKG-FPLPWBNLSA-N
Compound name
3-[(Z)-heptadec-10-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

330.29227 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.29955 189.9
[M+Na]+ 353.28149 192.1
[M-H]- 329.28499 189.7
[M+NH4]+ 348.32609 203.4
[M+K]+ 369.25543 185.7
[M+H-H2O]+ 313.28953 181.9
[M+HCOO]- 375.29047 208.6
[M+CH3COO]- 389.30612 212.5
[M+Na-2H]- 351.26694 189.3
[M]+ 330.29172 194.0
[M]- 330.29282 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe