CID 154577363

2418695-01-7

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₃

SMILES

CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)O)Cl

InChI

InChI=1S/C12H16ClNO3/c1-12(2,3)17-11(16)14-7-8-4-5-9(15)6-10(8)13/h4-6,15H,7H2,1-3H3,(H,14,16)

InChIKey

LJTWYSINFADMOJ-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-chloro-4-hydroxyphenyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.08188 Da
Monoisotopic Mass: 2.7
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]+	258.089156	156.5
[M+Na]+	280.071098	164.5
[M-H]-	256.074604	159.2
[M+NH4]+	275.115703	174.0
[M+K]+	296.045038	161.0
[M+H-H2O]+	240.079140	151.9
[M+HCOO]-	302.080081	173.4
[M+CH3COO]-	316.095731	193.3
[M+Na-2H]-	278.056546	160.7
[M]+	257.08133142	160.0
[M]-	257.08242858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.