CID 40176631

2-[3-(propan-2-yl)-1h-1,2,4-triazol-5-yl]aniline

Structural Information

Molecular Formula
C11H14N4
SMILES
CC(C)C1=NC(=NN1)C2=CC=CC=C2N
InChI
InChI=1S/C11H14N4/c1-7(2)10-13-11(15-14-10)8-5-3-4-6-9(8)12/h3-7H,12H2,1-2H3,(H,13,14,15)
InChIKey
AQXJICYQPAOGGM-UHFFFAOYSA-N
Compound name
2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12184 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12912 145.9
[M+Na]+ 225.11106 154.2
[M-H]- 201.11456 147.5
[M+NH4]+ 220.15566 161.7
[M+K]+ 241.08500 149.9
[M+H-H2O]+ 185.11910 137.3
[M+HCOO]- 247.12004 166.1
[M+CH3COO]- 261.13569 157.6
[M+Na-2H]- 223.09651 149.4
[M]+ 202.12129 143.0
[M]- 202.12239 143.0
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.