CID 84047619

N-[(azetidin-2-yl)methyl]acetamide dihydrochloride

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 129.3
[M+Na]+ 151.08418 133.5
[M-H]- 127.08768 129.8
[M+NH4]+ 146.12878 142.4
[M+K]+ 167.05812 135.6
[M+H-H2O]+ 111.09222 117.9
[M+HCOO]- 173.09316 148.9
[M+CH3COO]- 187.10881 174.8
[M+Na-2H]- 149.06963 134.3
[M]+ 128.09441 134.1
[M]- 128.09551 134.1
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.