CID 61924182

1251120-60-1

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CNC(CN1C=NC=N1)C(=O)O
InChI
InChI=1S/C6H10N4O2/c1-7-5(6(11)12)2-10-4-8-3-9-10/h3-5,7H,2H2,1H3,(H,11,12)
InChIKey
CBYUKEDJGCQVSH-UHFFFAOYSA-N
Compound name
2-(methylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 135.1
[M+Na]+ 193.069588 142.0
[M-H]- 169.073094 133.5
[M+NH4]+ 188.114193 151.8
[M+K]+ 209.043528 141.2
[M+H-H2O]+ 153.077630 127.0
[M+HCOO]- 215.078571 155.6
[M+CH3COO]- 229.094221 177.8
[M+Na-2H]- 191.055036 140.0
[M]+ 170.07982142 134.3
[M]- 170.08091858 134.3
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.