CID 21842318

42253-38-3

Structural Information

Molecular Formula
C8H13BrO
SMILES
CC1(CCCC1)C(=O)CBr
InChI
InChI=1S/C8H13BrO/c1-8(7(10)6-9)4-2-3-5-8/h2-6H2,1H3
InChIKey
NJHBEJLMTNLOSL-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-methylcyclopentyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

204.01498 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02226 141.2
[M+Na]+ 227.00420 151.4
[M-H]- 203.00770 147.1
[M+NH4]+ 222.04880 167.1
[M+K]+ 242.97814 141.6
[M+H-H2O]+ 187.01224 142.8
[M+HCOO]- 249.01318 160.9
[M+CH3COO]- 263.02883 181.4
[M+Na-2H]- 224.98965 146.5
[M]+ 204.01443 157.6
[M]- 204.01553 157.6
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