CID 79542404

1803599-13-4

Structural Information

Molecular Formula
C9H11N5
SMILES
CC1=C(N=NN1CC2=CC=NC=C2)N
InChI
InChI=1S/C9H11N5/c1-7-9(10)12-13-14(7)6-8-2-4-11-5-3-8/h2-5H,6,10H2,1H3
InChIKey
NVPQNZUNOQAIGC-UHFFFAOYSA-N
Compound name
5-methyl-1-(pyridin-4-ylmethyl)triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10144 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10872 140.8
[M+Na]+ 212.09066 150.7
[M-H]- 188.09416 142.5
[M+NH4]+ 207.13526 156.5
[M+K]+ 228.06460 147.0
[M+H-H2O]+ 172.09870 131.2
[M+HCOO]- 234.09964 162.7
[M+CH3COO]- 248.11529 153.4
[M+Na-2H]- 210.07611 146.9
[M]+ 189.10089 140.1
[M]- 189.10199 140.1
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.