CID 107357

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl anthranilate

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC1(OCC(O1)COC(=O)C2=CC=CC=C2N)C
InChI
InChI=1S/C13H17NO4/c1-13(2)17-8-9(18-13)7-16-12(15)10-5-3-4-6-11(10)14/h3-6,9H,7-8,14H2,1-2H3
InChIKey
CPBQBOCHNODNFX-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 156.2
[M+Na]+ 274.104968 163.0
[M-H]- 250.108474 163.9
[M+NH4]+ 269.149573 173.8
[M+K]+ 290.078908 163.7
[M+H-H2O]+ 234.113010 150.5
[M+HCOO]- 296.113951 177.3
[M+CH3COO]- 310.129601 193.7
[M+Na-2H]- 272.090416 160.2
[M]+ 251.11520142 157.9
[M]- 251.11629858 157.9
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

No patent data available for this compound.