CID 146155170

2416230-28-7

Structural Information

Molecular Formula
C7H10ClN3O2
SMILES
CCOC(=O)C1=NNC(=N1)C(C)Cl
InChI
InChI=1S/C7H10ClN3O2/c1-3-13-7(12)6-9-5(4(2)8)10-11-6/h4H,3H2,1-2H3,(H,9,10,11)
InChIKey
OATFZSPLAXBRKX-UHFFFAOYSA-N
Compound name
ethyl 5-(1-chloroethyl)-1H-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04616 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05344 140.8
[M+Na]+ 226.03538 149.9
[M-H]- 202.03888 139.3
[M+NH4]+ 221.07998 157.9
[M+K]+ 242.00932 147.1
[M+H-H2O]+ 186.04342 133.8
[M+HCOO]- 248.04436 155.3
[M+CH3COO]- 262.06001 180.2
[M+Na-2H]- 224.02083 143.5
[M]+ 203.04561 143.2
[M]- 203.04671 143.2
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

No patent data available for this compound.