CID 136340527

1282516-17-9

Structural Information

Molecular Formula
C6H11N3O
SMILES
CC1=NN(C(=O)N1)C(C)C
InChI
InChI=1S/C6H11N3O/c1-4(2)9-6(10)7-5(3)8-9/h4H,1-3H3,(H,7,8,10)
InChIKey
LEWKFFUYRKWKLV-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-yl-4H-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

141.09021 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 129.3
[M+Na]+ 164.07943 140.5
[M+NH4]+ 159.12403 135.8
[M+K]+ 180.05337 138.1
[M-H]- 140.08293 127.8
[M+Na-2H]- 162.06488 133.4
[M]+ 141.08966 130.1
[M]- 141.09076 130.1
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