CID 20836245

(z)-hex-3-enyl undec-10-enoate

Structural Information

Molecular Formula
C17H30O2
SMILES
CC/C=C\CCOC(=O)CCCCCCCCC=C
InChI
InChI=1S/C17H30O2/c1-3-5-7-9-10-11-12-13-15-17(18)19-16-14-8-6-4-2/h3,6,8H,1,4-5,7,9-16H2,2H3/b8-6-
InChIKey
XCVDCWGZWKLBOB-VURMDHGXSA-N
Compound name
[(Z)-hex-3-enyl] undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

266.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 171.3
[M+Na]+ 289.213798 174.8
[M-H]- 265.217304 169.8
[M+NH4]+ 284.258403 188.1
[M+K]+ 305.187738 171.3
[M+H-H2O]+ 249.221840 165.0
[M+HCOO]- 311.222781 191.6
[M+CH3COO]- 325.238431 201.1
[M+Na-2H]- 287.199246 171.4
[M]+ 266.22403142 176.8
[M]- 266.22512858 176.8
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