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

35
Patents

162.99966 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00694 117.7
[M+Na]+ 185.98888 128.4
[M-H]- 161.99238 122.9
[M+NH4]+ 181.03348 135.1
[M+K]+ 201.96282 121.9
[M+H-H2O]+ 145.99692 114.0
[M+HCOO]- 207.99786 137.0
[M+CH3COO]- 222.01351 180.4
[M+Na-2H]- 183.97433 126.4
[M]+ 162.99911 142.9
[M]- 163.00021 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