CID 11549

1,1-dimethylcyclohexane

Structural Information

Molecular Formula
C8H16
SMILES
CC1(CCCCC1)C
InChI
InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3
InChIKey
QEGNUYASOUJEHD-UHFFFAOYSA-N
Compound name
1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

30227
Patents

112.1252 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.132476 124.6
[M+Na]+ 135.114418 130.2
[M-H]- 111.117924 127.8
[M+NH4]+ 130.159023 149.3
[M+K]+ 151.088358 129.7
[M+H-H2O]+ 95.122460 120.3
[M+HCOO]- 157.123401 145.2
[M+CH3COO]- 171.139051 169.2
[M+Na-2H]- 133.099866 131.5
[M]+ 112.12465142 120.1
[M]- 112.12574858 120.1
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