CID 15429162

201741-17-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC1=C(C=CC(=C1)O)NC(=O)OC(C)(C)C

InChI

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

InChIKey

FBUBSOYGNIHPLK-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-hydroxy-2-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 223.12085 Da
Monoisotopic Mass: 1.6
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	150.4
[M+Na]+	246.11007	157.6
[M-H]-	222.11357	153.2
[M+NH4]+	241.15467	168.4
[M+K]+	262.08401	156.1
[M+H-H2O]+	206.11811	144.9
[M+HCOO]-	268.11905	171.8
[M+CH3COO]-	282.13470	189.5
[M+Na-2H]-	244.09552	155.0
[M]+	223.12030	151.8
[M]-	223.12140	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe