CID 81572838

6-(4-isopropyl-4h-1,2,4-triazol-3-yl)pyridin-2-amine

Structural Information

Molecular Formula
C10H13N5
SMILES
CC(C)N1C=NN=C1C2=NC(=CC=C2)N
InChI
InChI=1S/C10H13N5/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h3-7H,1-2H3,(H2,11,13)
InChIKey
MPBBJHFKDHDIRZ-UHFFFAOYSA-N
Compound name
6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

203.1171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 145.6
[M+Na]+ 226.10632 154.8
[M-H]- 202.10982 147.3
[M+NH4]+ 221.15092 160.7
[M+K]+ 242.08026 151.3
[M+H-H2O]+ 186.11436 136.0
[M+HCOO]- 248.11530 166.2
[M+CH3COO]- 262.13095 157.6
[M+Na-2H]- 224.09177 150.0
[M]+ 203.11655 144.7
[M]- 203.11765 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe