CID 59556511

3-(bromomethyl)-1-methylazetidine hydrobromide

Structural Information

Molecular Formula
C5H10BrN
SMILES
CN1CC(C1)CBr
InChI
InChI=1S/C5H10BrN/c1-7-3-5(2-6)4-7/h5H,2-4H2,1H3
InChIKey
QYFFARALSJOCIW-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

162.99966 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.006936 117.7
[M+Na]+ 185.988878 128.4
[M-H]- 161.992384 122.9
[M+NH4]+ 181.033483 135.1
[M+K]+ 201.962818 121.9
[M+H-H2O]+ 145.996920 114.0
[M+HCOO]- 207.997861 137.0
[M+CH3COO]- 222.013511 180.4
[M+Na-2H]- 183.974326 126.4
[M]+ 162.99911142 142.9
[M]- 163.00020858 142.9
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