CID 14914702

134926-94-6

Structural Information

Molecular Formula
C6H9N3O
SMILES
CCN1C=C(N=N1)C(=O)C
InChI
InChI=1S/C6H9N3O/c1-3-9-4-6(5(2)10)7-8-9/h4H,3H2,1-2H3
InChIKey
ZZXMSNXYVWPTBO-UHFFFAOYSA-N
Compound name
1-(1-ethyltriazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.3
[M+Na]+ 162.06377 136.9
[M-H]- 138.06727 127.3
[M+NH4]+ 157.10837 146.9
[M+K]+ 178.03771 136.1
[M+H-H2O]+ 122.07181 119.9
[M+HCOO]- 184.07275 149.0
[M+CH3COO]- 198.08840 173.8
[M+Na-2H]- 160.04922 132.6
[M]+ 139.07400 128.8
[M]- 139.07510 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe