CID 129980768

135301-77-8

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN1C(=NNC1=O)C2CC2
InChI
InChI=1S/C6H9N3O/c1-9-5(4-2-3-4)7-8-6(9)10/h4H,2-3H2,1H3,(H,8,10)
InChIKey
WFQQCERIHSPGOM-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

139.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 134.9
[M+Na]+ 162.06377 147.2
[M-H]- 138.06727 137.8
[M+NH4]+ 157.10837 149.2
[M+K]+ 178.03771 142.7
[M+H-H2O]+ 122.07181 127.3
[M+HCOO]- 184.07275 156.4
[M+CH3COO]- 198.08840 173.8
[M+Na-2H]- 160.04922 139.7
[M]+ 139.07400 136.5
[M]- 139.07510 136.5
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