CID 64787135

911297-03-5

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

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

InChI

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

InChIKey

HTKIMPSOKVLTQC-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-chloro-4-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 243.06622 Da
Monoisotopic Mass: 3.5
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]+	244.07350	151.8
[M+Na]+	266.05544	160.2
[M-H]-	242.05894	154.7
[M+NH4]+	261.10004	169.9
[M+K]+	282.02938	157.0
[M+H-H2O]+	226.06348	147.4
[M+HCOO]-	288.06442	169.1
[M+CH3COO]-	302.08007	190.2
[M+Na-2H]-	264.04089	156.5
[M]+	243.06567	154.9
[M]-	243.06677	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe