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
1
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]+ 252.12303 156.2
[M+Na]+ 274.10497 163.0
[M-H]- 250.10847 163.9
[M+NH4]+ 269.14957 173.8
[M+K]+ 290.07891 163.7
[M+H-H2O]+ 234.11301 150.5
[M+HCOO]- 296.11395 177.3
[M+CH3COO]- 310.12960 193.7
[M+Na-2H]- 272.09042 160.2
[M]+ 251.11520 157.9
[M]- 251.11630 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.