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: 1
Patents: 299.09244 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.099716	167.1
[M+Na]+	322.081658	173.1
[M-H]-	298.085164	170.4
[M+NH4]+	317.126263	182.9
[M+K]+	338.055598	170.4
[M+H-H2O]+	282.089700	161.1
[M+HCOO]-	344.090641	185.0
[M+CH3COO]-	358.106291	203.1
[M+Na-2H]-	320.067106	168.3
[M]+	299.09189142	172.9
[M]-	299.09298858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe