CID 62961132

2-amino-3-(1-methyl-1h-1,2,3-triazol-4-yl)propanoic acid dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

170.08037 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 135.5
[M+Na]+ 193.069588 143.4
[M-H]- 169.073094 133.9
[M+NH4]+ 188.114193 152.4
[M+K]+ 209.043528 142.3
[M+H-H2O]+ 153.077630 127.8
[M+HCOO]- 215.078571 155.4
[M+CH3COO]- 229.094221 178.4
[M+Na-2H]- 191.055036 138.6
[M]+ 170.07982142 134.2
[M]- 170.08091858 134.2
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