CID 145913228

2378502-72-6

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1C(CC1=O)N2C=NC=N2
InChI
InChI=1S/C6H7N3O/c10-6-1-5(2-6)9-4-7-3-8-9/h3-5H,1-2H2
InChIKey
ZYMLDQRASJLCFH-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.05891 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 121.4
[M+Na]+ 160.048128 129.5
[M-H]- 136.051634 124.3
[M+NH4]+ 155.092733 134.4
[M+K]+ 176.022068 131.2
[M+H-H2O]+ 120.056170 108.8
[M+HCOO]- 182.057111 142.4
[M+CH3COO]- 196.072761 174.8
[M+Na-2H]- 158.033576 127.6
[M]+ 137.05836142 129.4
[M]- 137.05945858 129.4
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

No patent data available for this compound.