CID 19995942

3-methylazetidine hydrochloride

Structural Information

Molecular Formula
C4H9N
SMILES
CC1CNC1
InChI
InChI=1S/C4H9N/c1-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKey
HTHMVKNHGOVITA-UHFFFAOYSA-N
Compound name
3-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2117
Patents

71.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.080776 110.7
[M+Na]+ 94.062718 116.9
[M-H]- 70.066224 111.7
[M+NH4]+ 89.107323 126.7
[M+K]+ 110.03666 119.2
[M+H-H2O]+ 54.070760 101.0
[M+HCOO]- 116.07170 130.8
[M+CH3COO]- 130.08735 163.1
[M+Na-2H]- 92.048166 118.3
[M]+ 71.072951 115.7
[M]- 71.074049 115.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe