CID 684169

69218-46-8

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CCOC(=O)CN1C2=CC=CC=C2N=N1
InChI
InChI=1S/C10H11N3O2/c1-2-15-10(14)7-13-9-6-4-3-5-8(9)11-12-13/h3-6H,2,7H2,1H3
InChIKey
DAWOQVVENZAAPT-UHFFFAOYSA-N
Compound name
ethyl 2-(benzotriazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

205.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.7
[M+Na]+ 228.07435 153.0
[M-H]- 204.07785 143.8
[M+NH4]+ 223.11895 160.7
[M+K]+ 244.04829 150.6
[M+H-H2O]+ 188.08239 134.6
[M+HCOO]- 250.08333 164.7
[M+CH3COO]- 264.09898 184.2
[M+Na-2H]- 226.05980 150.0
[M]+ 205.08458 147.3
[M]- 205.08568 147.3
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