CID 205691

18493-21-5

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC1(COC(O1)C2=CC=CC=C2OC(=O)NC)C
InChI
InChI=1S/C13H17NO4/c1-13(2)8-16-11(18-13)9-6-4-5-7-10(9)17-12(15)14-3/h4-7,11H,8H2,1-3H3,(H,14,15)
InChIKey
XUVOEMYDWNRKOM-UHFFFAOYSA-N
Compound name
[2-(4,4-dimethyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 155.7
[M+Na]+ 274.10497 162.6
[M-H]- 250.10847 164.0
[M+NH4]+ 269.14957 173.7
[M+K]+ 290.07891 163.7
[M+H-H2O]+ 234.11301 150.0
[M+HCOO]- 296.11395 177.5
[M+CH3COO]- 310.12960 193.6
[M+Na-2H]- 272.09042 160.8
[M]+ 251.11520 158.3
[M]- 251.11630 158.3
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

No patent data available for this compound.