CID 12314118

5-((z)-undec-3-en-1-yl)resorcinol

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCC/C=C\CCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h8-9,12-14,18-19H,2-7,10-11H2,1H3/b9-8-
InChIKey
KBZMDBAMUVCKBO-HJWRWDBZSA-N
Compound name
5-[(Z)-undec-3-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 166.1
[M+Na]+ 285.18249 171.4
[M-H]- 261.18599 166.1
[M+NH4]+ 280.22709 182.0
[M+K]+ 301.15643 166.2
[M+H-H2O]+ 245.19053 159.7
[M+HCOO]- 307.19147 185.6
[M+CH3COO]- 321.20712 195.1
[M+Na-2H]- 283.16794 167.6
[M]+ 262.19272 168.0
[M]- 262.19382 168.0
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

No patent data available for this compound.