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]+ 253.11829 157.5
[M+Na]+ 275.10023 162.3
[M-H]- 251.10373 159.9
[M+NH4]+ 270.14483 173.1
[M+K]+ 291.07417 161.6
[M+H-H2O]+ 235.10827 150.2
[M+HCOO]- 297.10921 180.1
[M+CH3COO]- 311.12486 198.3
[M+Na-2H]- 273.08568 158.1
[M]+ 252.11046 157.5
[M]- 252.11156 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.