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

1
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

patents stripe