CID 71317430

479423-40-0

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

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

InChI

InChI=1S/C13H17NO3/c1-13(2,3)17-12(15)14-9-10-5-7-11(16-4)8-6-10/h5-9H,1-4H3

InChIKey

OLARTLQIVCKFTH-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-methoxyphenyl)methylidene]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 235.12085 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]+	236.128126	153.2
[M+Na]+	258.110068	160.4
[M-H]-	234.113574	158.4
[M+NH4]+	253.154673	171.9
[M+K]+	274.084008	159.8
[M+H-H2O]+	218.118110	146.9
[M+HCOO]-	280.119051	177.7
[M+CH3COO]-	294.134701	194.8
[M+Na-2H]-	256.095516	159.1
[M]+	235.12030142	157.7
[M]-	235.12139858	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe