CID 7016873

Methyl (2s)-2-[(2s)-2-aminopropanamido]propanoate hydrochloride

Structural Information

Molecular Formula
C7H14N2O3
SMILES
C[C@H](C(=O)N[C@H](C)C(=O)OC)N
InChI
InChI=1S/C7H14N2O3/c1-4(8)6(10)9-5(2)7(11)12-3/h4-5H,8H2,1-3H3,(H,9,10)/t4-,5-/m1/s1
InChIKey
LNLRCQQTGATDQI-RFZPGFLSSA-N
Compound name
methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

174.10045 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.10773 140.0
[M+Na]+ 197.08967 144.8
[M-H]- 173.09317 139.8
[M+NH4]+ 192.13427 159.1
[M+K]+ 213.06361 146.1
[M+H-H2O]+ 157.09771 134.3
[M+HCOO]- 219.09865 162.0
[M+CH3COO]- 233.11430 185.8
[M+Na-2H]- 195.07512 140.7
[M]+ 174.09990 139.1
[M]- 174.10100 139.1
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