CID 14978328

153334-14-6

Structural Information

Molecular Formula
C6H9N3O
SMILES
CCC(=O)C1=NC=NN1C
InChI
InChI=1S/C6H9N3O/c1-3-5(10)6-7-4-8-9(6)2/h4H,3H2,1-2H3
InChIKey
WYIBEJSJURTLIG-UHFFFAOYSA-N
Compound name
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 128.4
[M+Na]+ 162.06377 139.8
[M+NH4]+ 157.10837 135.3
[M+K]+ 178.03771 136.9
[M-H]- 138.06727 127.4
[M+Na-2H]- 160.04922 133.5
[M]+ 139.07400 129.5
[M]- 139.07510 129.5
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