CID 65438917

1-(bromomethyl)-1-methylcyclopentane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(CCCC1)CBr
InChI
InChI=1S/C7H13Br/c1-7(6-8)4-2-3-5-7/h2-6H2,1H3
InChIKey
IGVNUARUDLGQBN-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 134.4
[M+Na]+ 199.00929 145.1
[M-H]- 175.01279 140.5
[M+NH4]+ 194.05389 161.6
[M+K]+ 214.98323 135.4
[M+H-H2O]+ 159.01733 136.2
[M+HCOO]- 221.01827 155.1
[M+CH3COO]- 235.03392 177.0
[M+Na-2H]- 196.99474 141.4
[M]+ 176.01952 150.5
[M]- 176.02062 150.5
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