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]+ 175.107726 138.9
[M+Na]+ 197.089668 144.1
[M-H]- 173.093174 138.5
[M+NH4]+ 192.134273 158.1
[M+K]+ 213.063608 144.3
[M+H-H2O]+ 157.097710 133.0
[M+HCOO]- 219.098651 162.9
[M+CH3COO]- 233.114301 183.9
[M+Na-2H]- 195.075116 142.2
[M]+ 174.09990142 139.3
[M]- 174.10099858 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.