CID 294501

106320-92-7

Structural Information

Molecular Formula
C14H18ClNO4
SMILES
CCCCOC(=O)C(C)OC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C14H18ClNO4/c1-3-4-8-19-13(17)10(2)20-14(18)16-12-7-5-6-11(15)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,18)
InChIKey
NTQRSNGITNDNRT-UHFFFAOYSA-N
Compound name
butyl 2-[(3-chlorophenyl)carbamoyloxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09244 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09972 167.1
[M+Na]+ 322.08166 173.1
[M-H]- 298.08516 170.4
[M+NH4]+ 317.12626 182.9
[M+K]+ 338.05560 170.4
[M+H-H2O]+ 282.08970 161.1
[M+HCOO]- 344.09064 185.0
[M+CH3COO]- 358.10629 203.1
[M+Na-2H]- 320.06711 168.3
[M]+ 299.09189 172.9
[M]- 299.09299 172.9
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