CID 57708873

2287310-09-0

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCOC(=O)CCC1=NC=NN1
InChI
InChI=1S/C7H11N3O2/c1-2-12-7(11)4-3-6-8-5-9-10-6/h5H,2-4H2,1H3,(H,8,9,10)
InChIKey
KERPZGQNKCMLIP-UHFFFAOYSA-N
Compound name
ethyl 3-(1H-1,2,4-triazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

169.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 136.0
[M+Na]+ 192.07435 143.8
[M-H]- 168.07785 134.1
[M+NH4]+ 187.11895 153.4
[M+K]+ 208.04829 142.4
[M+H-H2O]+ 152.08239 128.1
[M+HCOO]- 214.08333 156.2
[M+CH3COO]- 228.09898 174.3
[M+Na-2H]- 190.05980 141.0
[M]+ 169.08458 137.0
[M]- 169.08568 137.0
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