CID 192794

Methyl 3-aminopropanoate hydrochloride

Structural Information

Molecular Formula
C4H9NO2
SMILES
COC(=O)CCN
InChI
InChI=1S/C4H9NO2/c1-7-4(6)2-3-5/h2-3,5H2,1H3
InChIKey
UZCXPYDBYUEZCV-UHFFFAOYSA-N
Compound name
methyl 3-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4856
Patents

103.06333 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.3
[M+Na]+ 126.05255 126.6
[M-H]- 102.05605 119.5
[M+NH4]+ 121.09715 142.0
[M+K]+ 142.02649 127.3
[M+H-H2O]+ 86.060590 114.8
[M+HCOO]- 148.06153 143.9
[M+CH3COO]- 162.07718 168.4
[M+Na-2H]- 124.03800 125.3
[M]+ 103.06278 119.4
[M]- 103.06388 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