CID 10727000

311349-58-3

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CCOC(=O)C1=NNC(=N1)CN
InChI
InChI=1S/C6H10N4O2/c1-2-12-6(11)5-8-4(3-7)9-10-5/h2-3,7H2,1H3,(H,8,9,10)
InChIKey
ZUGWQLAGBVBTIH-UHFFFAOYSA-N
Compound name
ethyl 5-(aminomethyl)-1H-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.08037 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 135.3
[M+Na]+ 193.069588 143.5
[M-H]- 169.073094 133.6
[M+NH4]+ 188.114193 152.3
[M+K]+ 209.043528 141.9
[M+H-H2O]+ 153.077630 127.5
[M+HCOO]- 215.078571 156.3
[M+CH3COO]- 229.094221 176.8
[M+Na-2H]- 191.055036 139.6
[M]+ 170.07982142 134.5
[M]- 170.08091858 134.5
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