CID 12681828

N-(2-aminoethyl)-2-methylpropanamide hydrochloride

Structural Information

Molecular Formula
C6H14N2O
SMILES
CC(C)C(=O)NCCN
InChI
InChI=1S/C6H14N2O/c1-5(2)6(9)8-4-3-7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKey
KMFVUBFMFJOFIN-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

130.11061 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 130.5
[M+Na]+ 153.09983 135.9
[M-H]- 129.10333 130.3
[M+NH4]+ 148.14443 151.6
[M+K]+ 169.07377 136.0
[M+H-H2O]+ 113.10787 125.2
[M+HCOO]- 175.10881 154.1
[M+CH3COO]- 189.12446 178.3
[M+Na-2H]- 151.08528 134.2
[M]+ 130.11006 128.4
[M]- 130.11116 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe