CID 7019936

N-(2-aminobutanoyl)glycine

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CC[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C6H12N2O3/c1-2-4(7)6(11)8-3-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKey
SVHUWZOIWWJJJM-BYPYZUCNSA-N
Compound name
2-[[(2S)-2-aminobutanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

160.0848 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 135.3
[M+Na]+ 183.074018 140.2
[M-H]- 159.077524 133.7
[M+NH4]+ 178.118623 154.2
[M+K]+ 199.047958 140.3
[M+H-H2O]+ 143.082060 129.8
[M+HCOO]- 205.083001 157.1
[M+CH3COO]- 219.098651 180.0
[M+Na-2H]- 181.059466 137.2
[M]+ 160.08425142 132.8
[M]- 160.08534858 132.8
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