CID 10705884

180690-93-1

Structural Information

Molecular Formula

C₁₃H₁₇NO₄

SMILES

CC(C)(C)OC(=O)NC1=C(C=CC=C1OC)C=O

InChI

InChI=1S/C13H17NO4/c1-13(2,3)18-12(16)14-11-9(8-15)6-5-7-10(11)17-4/h5-8H,1-4H3,(H,14,16)

InChIKey

JVLARPBIRYFAFJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-formyl-6-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 251.11575 Da
Monoisotopic Mass: 2.5
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]+	252.12303	155.8
[M+Na]+	274.10497	163.2
[M-H]-	250.10847	159.9
[M+NH4]+	269.14957	173.2
[M+K]+	290.07891	162.4
[M+H-H2O]+	234.11301	149.7
[M+HCOO]-	296.11395	178.9
[M+CH3COO]-	310.12960	196.3
[M+Na-2H]-	272.09042	160.6
[M]+	251.11520	160.3
[M]-	251.11630	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe