CID 22716009

232280-82-9

Structural Information

Molecular Formula
C5H9N5O
SMILES
CN1C(=NC(=N1)C(=O)N)CN
InChI
InChI=1S/C5H9N5O/c1-10-3(2-6)8-5(9-10)4(7)11/h2,6H2,1H3,(H2,7,11)
InChIKey
JVVZJHHKNAMINM-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.0807 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.087976 131.4
[M+Na]+ 178.069918 140.5
[M-H]- 154.073424 131.1
[M+NH4]+ 173.114523 149.4
[M+K]+ 194.043858 139.1
[M+H-H2O]+ 138.077960 123.5
[M+HCOO]- 200.078901 154.3
[M+CH3COO]- 214.094551 180.5
[M+Na-2H]- 176.055366 135.3
[M]+ 155.08015142 129.4
[M]- 155.08124858 129.4
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