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

4
Patents

185.09529 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 145.5
[M+Na]+ 208.08451 156.2
[M-H]- 184.08801 151.9
[M+NH4]+ 203.12911 158.0
[M+K]+ 224.05845 151.6
[M+H-H2O]+ 168.09255 136.1
[M+HCOO]- 230.09349 168.2
[M+CH3COO]- 244.10914 158.0
[M+Na-2H]- 206.06996 151.3
[M]+ 185.09474 146.8
[M]- 185.09584 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