CID 23631090

2-methyl-5-(8'z-heptadecenyl)resorcinol

Structural Information

Molecular Formula
C24H40O2
SMILES
CCCCCCCC/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O
InChI
InChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21(2)24(26)20-22/h10-11,19-20,25-26H,3-9,12-18H2,1-2H3/b11-10-
InChIKey
KTZDUJBKUSVCCM-KHPPLWFESA-N
Compound name
5-[(Z)-heptadec-8-enyl]-2-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.30283 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.31011 196.9
[M+Na]+ 383.29205 200.1
[M-H]- 359.29555 195.9
[M+NH4]+ 378.33665 209.0
[M+K]+ 399.26599 193.2
[M+H-H2O]+ 343.30009 189.3
[M+HCOO]- 405.30103 214.0
[M+CH3COO]- 419.31668 217.2
[M+Na-2H]- 381.27750 194.0
[M]+ 360.30228 201.7
[M]- 360.30338 201.7
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

No patent data available for this compound.