CID 23507

Fondaren

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC1C(OC(O1)C2=CC=CC=C2OC(=O)NC)C
InChI
InChI=1S/C13H17NO4/c1-8-9(2)17-12(16-8)10-6-4-5-7-11(10)18-13(15)14-3/h4-9,12H,1-3H3,(H,14,15)
InChIKey
KHOCVCJZJLCLGP-UHFFFAOYSA-N
Compound name
[2-(4,5-dimethyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1629
Patents

251.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 157.3
[M+Na]+ 274.10497 164.2
[M-H]- 250.10847 165.6
[M+NH4]+ 269.14957 173.5
[M+K]+ 290.07891 164.9
[M+H-H2O]+ 234.11301 151.0
[M+HCOO]- 296.11395 179.1
[M+CH3COO]- 310.12960 195.3
[M+Na-2H]- 272.09042 160.3
[M]+ 251.11520 159.9
[M]- 251.11630 159.9
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