CID 103649

3-cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-pentenyl)-

Structural Information

Molecular Formula
C13H20O
SMILES
CC(=CCCC1=CCCC(C1)C=O)C
InChI
InChI=1S/C13H20O/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3
InChIKey
RKXHUEKKGCBVSR-UHFFFAOYSA-N
Compound name
3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

144
Patents

192.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.158686 146.1
[M+Na]+ 215.140628 151.1
[M-H]- 191.144134 148.8
[M+NH4]+ 210.185233 165.7
[M+K]+ 231.114568 148.5
[M+H-H2O]+ 175.148670 140.3
[M+HCOO]- 237.149611 166.1
[M+CH3COO]- 251.165261 185.7
[M+Na-2H]- 213.126076 148.3
[M]+ 192.15086142 144.3
[M]- 192.15195858 144.3
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