CID 116583007

2839138-38-2

Structural Information

Molecular Formula
C6H10N4O
SMILES
CC(=O)C1=CN(N=N1)CCN
InChI
InChI=1S/C6H10N4O/c1-5(11)6-4-10(3-2-7)9-8-6/h4H,2-3,7H2,1H3
InChIKey
IFCVSYMODGFUDO-UHFFFAOYSA-N
Compound name
1-[1-(2-aminoethyl)triazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.08546 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 131.9
[M+Na]+ 177.07468 141.6
[M+NH4]+ 172.11928 138.0
[M+K]+ 193.04862 139.5
[M-H]- 153.07818 130.9
[M+Na-2H]- 175.06013 136.1
[M]+ 154.08491 132.5
[M]- 154.08601 132.5
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