CID 53402714

1-(3-bromopropyl)azetidine hydrobromide

Structural Information

Molecular Formula
C6H12BrN
SMILES
C1CN(C1)CCCBr
InChI
InChI=1S/C6H12BrN/c7-3-1-4-8-5-2-6-8/h1-6H2
InChIKey
TYNVNNDTDRXKRL-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.0153 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.022576 122.5
[M+Na]+ 200.004518 131.9
[M-H]- 176.008024 127.1
[M+NH4]+ 195.049123 139.0
[M+K]+ 215.978458 125.2
[M+H-H2O]+ 160.012560 118.3
[M+HCOO]- 222.013501 141.5
[M+CH3COO]- 236.029151 182.2
[M+Na-2H]- 197.989966 131.2
[M]+ 177.01475142 147.7
[M]- 177.01584858 147.7
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.