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]+ 138.066186 134.0
[M+Na]+ 160.048128 144.2
[M-H]- 136.051634 136.4
[M+NH4]+ 155.092733 147.6
[M+K]+ 176.022068 140.5
[M+H-H2O]+ 120.056170 125.9
[M+HCOO]- 182.057111 154.7
[M+CH3COO]- 196.072761 172.4
[M+Na-2H]- 158.033576 139.2
[M]+ 137.05836142 134.2
[M]- 137.05945858 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