CID 66082

N-(2-aminoethyl)acetamide

Structural Information

Molecular Formula
C4H10N2O
SMILES
CC(=O)NCCN
InChI
InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)
InChIKey
DAKZISABEDGGSV-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

10114
Patents

102.079315 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.08659 120.5
[M+Na]+ 125.06853 126.9
[M-H]- 101.07204 120.6
[M+NH4]+ 120.11314 142.8
[M+K]+ 141.04247 127.0
[M+H-H2O]+ 85.076575 115.5
[M+HCOO]- 147.07752 145.7
[M+CH3COO]- 161.09317 171.3
[M+Na-2H]- 123.05398 126.6
[M]+ 102.07877 118.3
[M]- 102.07986 118.3
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