CID 61252124

Methyl 3-(3-aminopropanamido)propanoate hydrochloride

Structural Information

Molecular Formula
C7H14N2O3
SMILES
COC(=O)CCNC(=O)CCN
InChI
InChI=1S/C7H14N2O3/c1-12-7(11)3-5-9-6(10)2-4-8/h2-5,8H2,1H3,(H,9,10)
InChIKey
BDXGRUMHXGIWPQ-UHFFFAOYSA-N
Compound name
methyl 3-(3-aminopropanoylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10045 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.10773 138.9
[M+Na]+ 197.08967 144.1
[M-H]- 173.09317 138.5
[M+NH4]+ 192.13427 158.1
[M+K]+ 213.06361 144.3
[M+H-H2O]+ 157.09771 133.0
[M+HCOO]- 219.09865 162.9
[M+CH3COO]- 233.11430 183.9
[M+Na-2H]- 195.07512 142.2
[M]+ 174.09990 139.3
[M]- 174.10100 139.3
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

No patent data available for this compound.