CID 65362868

3-cyclopropanecarbonyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CC1C(=O)C2=NC=NN2
InChI
InChI=1S/C6H7N3O/c10-5(4-1-2-4)6-7-3-8-9-6/h3-4H,1-2H2,(H,7,8,9)
InChIKey
QGIJRWRTXXNAEV-UHFFFAOYSA-N
Compound name
cyclopropyl(1H-1,2,4-triazol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

137.05891 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 134.0
[M+Na]+ 160.04813 144.2
[M-H]- 136.05163 136.4
[M+NH4]+ 155.09273 147.6
[M+K]+ 176.02207 140.5
[M+H-H2O]+ 120.05617 125.9
[M+HCOO]- 182.05711 154.7
[M+CH3COO]- 196.07276 172.4
[M+Na-2H]- 158.03358 139.2
[M]+ 137.05836 134.2
[M]- 137.05946 134.2
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