CID 6441357

10-undecenal, 2-ethylidene-

Structural Information

Molecular Formula
C13H22O
SMILES
C/C=C(\CCCCCCCC=C)/C=O
InChI
InChI=1S/C13H22O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h3-4,12H,1,5-11H2,2H3/b13-4+
InChIKey
BGAYGLVXLJBTTR-YIXHJXPBSA-N
Compound name
(2E)-2-ethylideneundec-10-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 149.7
[M+Na]+ 217.156288 154.8
[M-H]- 193.159794 148.9
[M+NH4]+ 212.200893 169.3
[M+K]+ 233.130228 151.9
[M+H-H2O]+ 177.164330 144.4
[M+HCOO]- 239.165271 171.1
[M+CH3COO]- 253.180921 187.9
[M+Na-2H]- 215.141736 151.9
[M]+ 194.16652142 152.3
[M]- 194.16761858 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.