CID 384779

Nsc675215

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=NNC(=O)N1C2CC2
InChI
InChI=1S/C6H9N3O/c1-4-7-8-6(10)9(4)5-2-3-5/h5H,2-3H2,1H3,(H,8,10)
InChIKey
OLMQFIGUQCDKMI-UHFFFAOYSA-N
Compound name
4-cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

139.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 134.9
[M+Na]+ 162.063768 147.2
[M-H]- 138.067274 137.8
[M+NH4]+ 157.108373 149.2
[M+K]+ 178.037708 142.7
[M+H-H2O]+ 122.071810 127.3
[M+HCOO]- 184.072751 156.4
[M+CH3COO]- 198.088401 173.8
[M+Na-2H]- 160.049216 139.7
[M]+ 139.07400142 136.5
[M]- 139.07509858 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