CID 12537123

1,2,3-trimethylcyclohex-1-ene

Structural Information

Molecular Formula
C9H16
SMILES
CC1CCCC(=C1C)C
InChI
InChI=1S/C9H16/c1-7-5-4-6-8(2)9(7)3/h7H,4-6H2,1-3H3
InChIKey
WCXPIAKENXAPPI-UHFFFAOYSA-N
Compound name
1,2,3-trimethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

813
Patents

124.1252 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 125.7
[M+Na]+ 147.114418 133.0
[M-H]- 123.117924 129.5
[M+NH4]+ 142.159023 148.7
[M+K]+ 163.088358 131.8
[M+H-H2O]+ 107.122460 121.1
[M+HCOO]- 169.123401 147.5
[M+CH3COO]- 183.139051 174.4
[M+Na-2H]- 145.099866 130.8
[M]+ 124.12465142 123.6
[M]- 124.12574858 123.6
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