CID 84047619

N-[(azetidin-2-yl)methyl]acetamidedihydrochloride

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC(=O)NCC1CCN1
InChI
InChI=1S/C6H12N2O/c1-5(9)8-4-6-2-3-7-6/h6-7H,2-4H2,1H3,(H,8,9)
InChIKey
ILWSPBQCIUAGPN-UHFFFAOYSA-N
Compound name
N-(azetidin-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.09496 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 130.0
[M+Na]+ 151.08418 134.3
[M+NH4]+ 146.12878 133.3
[M+K]+ 167.05812 131.7
[M-H]- 127.08768 127.3
[M+Na-2H]- 149.06963 131.3
[M]+ 128.09441 128.2
[M]- 128.09551 128.2
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.