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]+ 177.027346 134.4
[M+Na]+ 199.009288 145.1
[M-H]- 175.012794 140.5
[M+NH4]+ 194.053893 161.6
[M+K]+ 214.983228 135.4
[M+H-H2O]+ 159.017330 136.2
[M+HCOO]- 221.018271 155.1
[M+CH3COO]- 235.033921 177.0
[M+Na-2H]- 196.994736 141.4
[M]+ 176.01952142 150.5
[M]- 176.02061858 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