CID 54592515

180593-41-3

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N(C)C1=CC=C(C=C1)O

InChI

InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3

InChIKey

OLCINQXFUANAPJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-hydroxyphenyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 223.12085 Da
Monoisotopic Mass: 2.0
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]+	224.12813	150.5
[M+Na]+	246.11007	160.7
[M+NH4]+	241.15467	157.3
[M+K]+	262.08401	156.8
[M-H]-	222.11357	151.3
[M+Na-2H]-	244.09552	155.7
[M]+	223.12030	152.0
[M]-	223.12140	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe