CID 94705

94483-57-5

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

CC(C)OC(=O)NC1=CC(=C(C=C1)OC)Cl

InChI

InChI=1S/C11H14ClNO3/c1-7(2)16-11(14)13-8-4-5-10(15-3)9(12)6-8/h4-7H,1-3H3,(H,13,14)

InChIKey

DOKXGWJKJLXPHI-UHFFFAOYSA-N

Compound name

propan-2-yl N-(3-chloro-4-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 243.06622 Da
Monoisotopic Mass: 3.0
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]+	244.073496	151.2
[M+Na]+	266.055438	159.3
[M-H]-	242.058944	155.2
[M+NH4]+	261.100043	169.7
[M+K]+	282.029378	156.9
[M+H-H2O]+	226.063480	146.0
[M+HCOO]-	288.064421	170.6
[M+CH3COO]-	302.080071	193.9
[M+Na-2H]-	264.040886	154.4
[M]+	243.06567142	156.2
[M]-	243.06676858	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.