CID 165941220

1-[1-(bromomethyl)cyclobutyl]methanamine hydrochloride

Structural Information

Molecular Formula
C6H12BrN
SMILES
C1CC(C1)(CN)CBr
InChI
InChI=1S/C6H12BrN/c7-4-6(5-8)2-1-3-6/h1-5,8H2
InChIKey
PRCXTRGDNRIGER-UHFFFAOYSA-N
Compound name
[1-(bromomethyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.0153 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02258 125.5
[M+Na]+ 200.00452 134.5
[M-H]- 176.00802 131.2
[M+NH4]+ 195.04912 144.3
[M+K]+ 215.97846 127.2
[M+H-H2O]+ 160.01256 122.2
[M+HCOO]- 222.01350 145.7
[M+CH3COO]- 236.02915 182.9
[M+Na-2H]- 197.98997 134.0
[M]+ 177.01475 148.7
[M]- 177.01585 148.7
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

No patent data available for this compound.