CID 22719428

4-amino-2-methoxybutanoic acid hydrochloride

Structural Information

Molecular Formula
C5H11NO3
SMILES
COC(CCN)C(=O)O
InChI
InChI=1S/C5H11NO3/c1-9-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey
AAUVJZOKHPCUGY-UHFFFAOYSA-N
Compound name
4-amino-2-methoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

133.0739 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.7
[M+Na]+ 156.063118 133.8
[M-H]- 132.066624 126.2
[M+NH4]+ 151.107723 148.2
[M+K]+ 172.037058 134.2
[M+H-H2O]+ 116.071160 122.8
[M+HCOO]- 178.072101 149.6
[M+CH3COO]- 192.087751 172.5
[M+Na-2H]- 154.048566 131.2
[M]+ 133.07335142 127.1
[M]- 133.07444858 127.1
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