CID 108236

Cyclohexenecarboxaldehyde, (4-methyl-3-pentenyl)-

Structural Information

Molecular Formula
C13H20O
SMILES
CC=CCCC1C=C(CCC1C)C=O
InChI
InChI=1S/C13H20O/c1-3-4-5-6-13-9-12(10-14)8-7-11(13)2/h3-4,9-11,13H,5-8H2,1-2H3
InChIKey
QBOPCAJPPUDVNQ-UHFFFAOYSA-N
Compound name
4-methyl-3-pent-3-enylcyclohexene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 145.0
[M+Na]+ 215.14063 151.2
[M-H]- 191.14413 148.0
[M+NH4]+ 210.18523 165.0
[M+K]+ 231.11457 148.2
[M+H-H2O]+ 175.14867 139.4
[M+HCOO]- 237.14961 166.0
[M+CH3COO]- 251.16526 186.1
[M+Na-2H]- 213.12608 147.8
[M]+ 192.15086 144.3
[M]- 192.15196 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

No literature data available for this compound.

Patent stripe

patents stripe