CID 51906

73623-18-4

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(C)CCOC(=O)NC1=CC(=CC=C1)O

InChI

InChI=1S/C12H17NO3/c1-9(2)6-7-16-12(15)13-10-4-3-5-11(14)8-10/h3-5,8-9,14H,6-7H2,1-2H3,(H,13,15)

InChIKey

XQGRRRUKOWQZKI-UHFFFAOYSA-N

Compound name

3-methylbutyl N-(3-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.12085 Da
Monoisotopic Mass: 2.8
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	151.4
[M+Na]+	246.11007	161.2
[M+NH4]+	241.15467	158.0
[M+K]+	262.08401	156.4
[M-H]-	222.11357	152.2
[M+Na-2H]-	244.09552	155.9
[M]+	223.12030	152.7
[M]-	223.12140	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe