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

44
Patents

141.09021 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.097486 128.4
[M+Na]+ 164.079428 138.6
[M-H]- 140.082934 127.5
[M+NH4]+ 159.124033 147.6
[M+K]+ 180.053368 136.8
[M+H-H2O]+ 124.087470 121.6
[M+HCOO]- 186.088411 148.6
[M+CH3COO]- 200.104061 172.3
[M+Na-2H]- 162.064876 132.5
[M]+ 141.08966142 128.5
[M]- 141.09075858 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