CID 10242688

Boc-4-aminobenzylalcohol

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

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

InChI

InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,13,15)

InChIKey

YQKDTZYYROHLMB-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(hydroxymethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
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	151.0
[M+Na]+	246.11007	157.3
[M-H]-	222.11357	153.4
[M+NH4]+	241.15467	168.6
[M+K]+	262.08401	155.7
[M+H-H2O]+	206.11811	145.2
[M+HCOO]-	268.11905	172.4
[M+CH3COO]-	282.13470	188.2
[M+Na-2H]-	244.09552	156.2
[M]+	223.12030	152.0
[M]-	223.12140	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe