CID 115393482

3-cyclopropyl-4-phenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C11H11N3
SMILES
C1CC1C2=NN=CN2C3=CC=CC=C3
InChI
InChI=1S/C11H11N3/c1-2-4-10(5-3-1)14-8-12-13-11(14)9-6-7-9/h1-5,8-9H,6-7H2
InChIKey
ZWXFRSZZZMRONH-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-phenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

185.09529 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.102566 145.5
[M+Na]+ 208.084508 156.2
[M-H]- 184.088014 151.9
[M+NH4]+ 203.129113 158.0
[M+K]+ 224.058448 151.6
[M+H-H2O]+ 168.092550 136.1
[M+HCOO]- 230.093491 168.2
[M+CH3COO]- 244.109141 158.0
[M+Na-2H]- 206.069956 151.3
[M]+ 185.09474142 146.8
[M]- 185.09583858 146.8
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

patents stripe