CID 155819624

4-(aminomethyl)-4-methylazetidin-2-one

Structural Information

Molecular Formula
C5H10N2O
SMILES
CC1(CC(=O)N1)CN
InChI
InChI=1S/C5H10N2O/c1-5(3-6)2-4(8)7-5/h2-3,6H2,1H3,(H,7,8)
InChIKey
IOMUZVRDGGAWTI-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-4-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.079315 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.086591 124.9
[M+Na]+ 137.068533 131.4
[M-H]- 113.072039 125.7
[M+NH4]+ 132.113138 140.5
[M+K]+ 153.042473 133.0
[M+H-H2O]+ 97.076575 115.3
[M+HCOO]- 159.077516 145.2
[M+CH3COO]- 173.093166 171.7
[M+Na-2H]- 135.053981 130.9
[M]+ 114.07876642 129.7
[M]- 114.07986358 129.7
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.