CID 79501514

1-phenyl-5-(propan-2-yl)-1h-1,2,3-triazol-4-amine

Structural Information

Molecular Formula
C11H14N4
SMILES
CC(C)C1=C(N=NN1C2=CC=CC=C2)N
InChI
InChI=1S/C11H14N4/c1-8(2)10-11(12)13-14-15(10)9-6-4-3-5-7-9/h3-8H,12H2,1-2H3
InChIKey
FXSDKEXMTZVGQS-UHFFFAOYSA-N
Compound name
1-phenyl-5-propan-2-yltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 145.4
[M+Na]+ 225.111058 154.1
[M-H]- 201.114564 148.4
[M+NH4]+ 220.155663 161.9
[M+K]+ 241.084998 150.7
[M+H-H2O]+ 185.119100 136.5
[M+HCOO]- 247.120041 167.1
[M+CH3COO]- 261.135691 188.4
[M+Na-2H]- 223.096506 149.4
[M]+ 202.12129142 144.3
[M]- 202.12238858 144.3
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.