CID 96002

Acetamide, n-((dimethylamino)methyl)-

Structural Information

Molecular Formula
C5H12N2O
SMILES
CC(=O)NCN(C)C
InChI
InChI=1S/C5H12N2O/c1-5(8)6-4-7(2)3/h4H2,1-3H3,(H,6,8)
InChIKey
JCCVVUYNOCEALA-UHFFFAOYSA-N
Compound name
N-[(dimethylamino)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

116.09496 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.102236 124.8
[M+Na]+ 139.084178 131.0
[M-H]- 115.087684 126.8
[M+NH4]+ 134.128783 147.5
[M+K]+ 155.058118 132.7
[M+H-H2O]+ 99.092220 119.5
[M+HCOO]- 161.093161 150.8
[M+CH3COO]- 175.108811 178.5
[M+Na-2H]- 137.069626 130.7
[M]+ 116.09441142 125.3
[M]- 116.09550858 125.3
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