CID 47003291

1240527-58-5

Structural Information

Molecular Formula
C11H12N4
SMILES
C1CC1C2=NC(=NN2)C3=CC(=CC=C3)N
InChI
InChI=1S/C11H12N4/c12-9-3-1-2-8(6-9)11-13-10(14-15-11)7-4-5-7/h1-3,6-7H,4-5,12H2,(H,13,14,15)
InChIKey
ODDGTCDQXORBSD-UHFFFAOYSA-N
Compound name
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.1062 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 146.4
[M+Na]+ 223.09542 156.9
[M-H]- 199.09892 151.6
[M+NH4]+ 218.14002 157.5
[M+K]+ 239.06936 150.4
[M+H-H2O]+ 183.10346 137.7
[M+HCOO]- 245.10440 168.3
[M+CH3COO]- 259.12005 158.1
[M+Na-2H]- 221.08087 151.1
[M]+ 200.10565 145.1
[M]- 200.10675 145.1
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.