CID 61044483

1046818-38-5

Structural Information

Molecular Formula

C₁₃H₁₉NO₃

SMILES

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

InChI

InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(4)9-10-5-7-11(15)8-6-10/h5-8,15H,9H2,1-4H3

InChIKey

YTCDWGLUXZFVDD-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 237.13649 Da
Monoisotopic Mass: 2.3
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]+	238.14377	154.8
[M+Na]+	260.12571	160.9
[M-H]-	236.12921	158.5
[M+NH4]+	255.17031	172.6
[M+K]+	276.09965	160.5
[M+H-H2O]+	220.13375	148.7
[M+HCOO]-	282.13469	176.5
[M+CH3COO]-	296.15034	194.7
[M+Na-2H]-	258.11116	158.8
[M]+	237.13594	157.5
[M]-	237.13704	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe