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 128.4
[M+Na]+ 164.07943 138.6
[M-H]- 140.08293 127.5
[M+NH4]+ 159.12403 147.6
[M+K]+ 180.05337 136.8
[M+H-H2O]+ 124.08747 121.6
[M+HCOO]- 186.08841 148.6
[M+CH3COO]- 200.10406 172.3
[M+Na-2H]- 162.06488 132.5
[M]+ 141.08966 128.5
[M]- 141.09076 128.5
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