CID 53796165

Allyl 1-benzotriazolyl carbonate

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C=CCOC(=O)OC1=CC=CC2=NNN=C21
InChI
InChI=1S/C10H9N3O3/c1-2-6-15-10(14)16-8-5-3-4-7-9(8)12-13-11-7/h2-5H,1,6H2,(H,11,12,13)
InChIKey
FFEOQDWFLIFALG-UHFFFAOYSA-N
Compound name
2H-benzotriazol-4-yl prop-2-enyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

219.06439 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 145.2
[M+Na]+ 242.05361 155.2
[M-H]- 218.05711 145.0
[M+NH4]+ 237.09821 161.8
[M+K]+ 258.02755 151.9
[M+H-H2O]+ 202.06165 137.3
[M+HCOO]- 264.06259 166.1
[M+CH3COO]- 278.07824 182.3
[M+Na-2H]- 240.03906 152.0
[M]+ 219.06384 148.5
[M]- 219.06494 148.5
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