CID 12502129

1-bromo-1-methylcyclohexane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(CCCCC1)Br
InChI
InChI=1S/C7H13Br/c1-7(8)5-3-2-4-6-7/h2-6H2,1H3
InChIKey
VSGXTQWTJYAQHO-UHFFFAOYSA-N
Compound name
1-bromo-1-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

176.02007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 131.7
[M+Na]+ 199.00929 141.2
[M-H]- 175.01279 137.6
[M+NH4]+ 194.05389 157.1
[M+K]+ 214.98323 131.7
[M+H-H2O]+ 159.01733 133.5
[M+HCOO]- 221.01827 150.4
[M+CH3COO]- 235.03392 177.1
[M+Na-2H]- 196.99474 140.0
[M]+ 176.01952 145.9
[M]- 176.02062 145.9
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