CID 21641836

1-(bromomethyl)cyclopentan-1-ol

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CCC(C1)(CBr)O
InChI
InChI=1S/C6H11BrO/c7-5-6(8)3-1-2-4-6/h8H,1-5H2
InChIKey
KNHNDXZLDMLMOR-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

177.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 133.9
[M+Na]+ 200.98855 144.4
[M-H]- 176.99205 138.7
[M+NH4]+ 196.03315 160.2
[M+K]+ 216.96249 134.4
[M+H-H2O]+ 160.99659 135.8
[M+HCOO]- 222.99753 153.6
[M+CH3COO]- 237.01318 173.4
[M+Na-2H]- 198.97400 140.9
[M]+ 177.99878 149.1
[M]- 177.99988 149.1
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