CID 213083

25462-35-5

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC1=CC=C(C=C1)C(COC(=O)N)COC(=O)N
InChI
InChI=1S/C12H16N2O4/c1-8-2-4-9(5-3-8)10(6-17-11(13)15)7-18-12(14)16/h2-5,10H,6-7H2,1H3,(H2,13,15)(H2,14,16)
InChIKey
HXGYVQDURKNEPV-UHFFFAOYSA-N
Compound name
[3-carbamoyloxy-2-(4-methylphenyl)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 157.5
[M+Na]+ 275.100228 162.3
[M-H]- 251.103734 159.9
[M+NH4]+ 270.144833 173.1
[M+K]+ 291.074168 161.6
[M+H-H2O]+ 235.108270 150.2
[M+HCOO]- 297.109211 180.1
[M+CH3COO]- 311.124861 198.3
[M+Na-2H]- 273.085676 158.1
[M]+ 252.11046142 157.5
[M]- 252.11155858 157.5
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

No patent data available for this compound.