CID 89361941

3-(bromomethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C4H8BrN
SMILES
C1C(CN1)CBr
InChI
InChI=1S/C4H8BrN/c5-1-4-2-6-3-4/h4,6H,1-3H2
InChIKey
POMYMSFZHJXPTM-UHFFFAOYSA-N
Compound name
3-(bromomethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

148.98401 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.99129 115.2
[M+Na]+ 171.97323 124.9
[M-H]- 147.97673 118.8
[M+NH4]+ 167.01783 132.0
[M+K]+ 187.94717 117.8
[M+H-H2O]+ 131.98127 111.4
[M+HCOO]- 193.98221 133.4
[M+CH3COO]- 207.99786 174.2
[M+Na-2H]- 169.95868 124.4
[M]+ 148.98346 137.9
[M]- 148.98456 137.9
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