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]+ 152.08183 129.1
[M+Na]+ 174.06377 135.0
[M-H]- 150.06727 130.2
[M+NH4]+ 169.10837 140.4
[M+K]+ 190.03771 136.1
[M+H-H2O]+ 134.07181 116.1
[M+HCOO]- 196.07275 147.2
[M+CH3COO]- 210.08840 174.9
[M+Na-2H]- 172.04922 133.6
[M]+ 151.07400 134.5
[M]- 151.07510 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