CID 116489834

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

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1CC(C1)C(=O)C2=NC=NN2
InChI
InChI=1S/C7H9N3O/c11-6(5-2-1-3-5)7-8-4-9-10-7/h4-5H,1-3H2,(H,8,9,10)
InChIKey
JDIHQBZDYPUNFB-UHFFFAOYSA-N
Compound name
cyclobutyl(1H-1,2,4-triazol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

151.07455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 129.1
[M+Na]+ 174.063768 135.0
[M-H]- 150.067274 130.2
[M+NH4]+ 169.108373 140.4
[M+K]+ 190.037708 136.1
[M+H-H2O]+ 134.071810 116.1
[M+HCOO]- 196.072751 147.2
[M+CH3COO]- 210.088401 174.9
[M+Na-2H]- 172.049216 133.6
[M]+ 151.07400142 134.5
[M]- 151.07509858 134.5
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