CID 15480

1,2-dimethylcyclohexene

Structural Information

Molecular Formula
C8H14
SMILES
CC1=C(CCCC1)C
InChI
InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3
InChIKey
TXNWMICHNKMOBR-UHFFFAOYSA-N
Compound name
1,2-dimethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3617
Patents

110.10955 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 122.0
[M+Na]+ 133.09877 128.7
[M-H]- 109.10227 125.5
[M+NH4]+ 128.14337 145.1
[M+K]+ 149.07271 127.8
[M+H-H2O]+ 93.106810 117.2
[M+HCOO]- 155.10775 144.0
[M+CH3COO]- 169.12340 170.3
[M+Na-2H]- 131.08422 128.3
[M]+ 110.10900 119.0
[M]- 110.11010 119.0
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