CID 137965947

2230799-57-0

Structural Information

Molecular Formula
C7H10N6
SMILES
CN1C(=CC=N1)C2=NNN=C2CN
InChI
InChI=1S/C7H10N6/c1-13-6(2-3-9-13)7-5(4-8)10-12-11-7/h2-3H,4,8H2,1H3,(H,10,11,12)
InChIKey
IMRMLUVCWSMOIZ-UHFFFAOYSA-N
Compound name
[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0967 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.103976 135.9
[M+Na]+ 201.085918 147.0
[M-H]- 177.089424 136.0
[M+NH4]+ 196.130523 151.9
[M+K]+ 217.059858 143.3
[M+H-H2O]+ 161.093960 126.5
[M+HCOO]- 223.094901 157.8
[M+CH3COO]- 237.110551 148.6
[M+Na-2H]- 199.071366 140.6
[M]+ 178.09615142 135.5
[M]- 178.09724858 135.5
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

No patent data available for this compound.