CID 533849

67863-05-2

Structural Information

Molecular Formula
C5H12N2O
SMILES
CC(C)NC(=O)CN
InChI
InChI=1S/C5H12N2O/c1-4(2)7-5(8)3-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKey
LKCKUYRPMPUHTD-UHFFFAOYSA-N
Compound name
2-amino-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

270
Patents

116.09496 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.102236 125.9
[M+Na]+ 139.084178 131.7
[M-H]- 115.087684 125.9
[M+NH4]+ 134.128783 147.6
[M+K]+ 155.058118 132.0
[M+H-H2O]+ 99.092220 120.8
[M+HCOO]- 161.093161 149.8
[M+CH3COO]- 175.108811 175.2
[M+Na-2H]- 137.069626 130.1
[M]+ 116.09441142 123.4
[M]- 116.09550858 123.4
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