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

70
Patents

174.10045 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.107726 140.0
[M+Na]+ 197.089668 144.8
[M-H]- 173.093174 139.8
[M+NH4]+ 192.134273 159.1
[M+K]+ 213.063608 146.1
[M+H-H2O]+ 157.097710 134.3
[M+HCOO]- 219.098651 162.0
[M+CH3COO]- 233.114301 185.8
[M+Na-2H]- 195.075116 140.7
[M]+ 174.09990142 139.1
[M]- 174.10099858 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