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]+ 179.10398 135.9
[M+Na]+ 201.08592 147.0
[M-H]- 177.08942 136.0
[M+NH4]+ 196.13052 151.9
[M+K]+ 217.05986 143.3
[M+H-H2O]+ 161.09396 126.5
[M+HCOO]- 223.09490 157.8
[M+CH3COO]- 237.11055 148.6
[M+Na-2H]- 199.07137 140.6
[M]+ 178.09615 135.5
[M]- 178.09725 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.