CID 112720

2-aminoethyl acetate

Structural Information

Molecular Formula
C4H9NO2
SMILES
CC(=O)OCCN
InChI
InChI=1S/C4H9NO2/c1-4(6)7-3-2-5/h2-3,5H2,1H3
InChIKey
HBVZRPAKZOLBPL-UHFFFAOYSA-N
Compound name
2-aminoethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1325
Patents

103.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.3
[M+Na]+ 126.052548 126.6
[M-H]- 102.056054 119.5
[M+NH4]+ 121.097153 142.0
[M+K]+ 142.026488 127.3
[M+H-H2O]+ 86.060590 114.8
[M+HCOO]- 148.061531 143.9
[M+CH3COO]- 162.077181 168.4
[M+Na-2H]- 124.037996 125.3
[M]+ 103.06278142 119.4
[M]- 103.06387858 119.4
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