CID 43522

O-sec-butylphenyl carbamate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCC(C)C1=CC=CC=C1OC(=O)N

InChI

InChI=1S/C11H15NO2/c1-3-8(2)9-6-4-5-7-10(9)14-11(12)13/h4-8H,3H2,1-2H3,(H2,12,13)

InChIKey

QLFPSZPGHNOLSF-UHFFFAOYSA-N

Compound name

(2-butan-2-ylphenyl) carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 193.11028 Da
Monoisotopic Mass: 2.4
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]+	194.11756	143.6
[M+Na]+	216.09950	150.0
[M-H]-	192.10300	146.8
[M+NH4]+	211.14410	162.7
[M+K]+	232.07344	148.7
[M+H-H2O]+	176.10754	137.4
[M+HCOO]-	238.10848	166.6
[M+CH3COO]-	252.12413	186.9
[M+Na-2H]-	214.08495	146.7
[M]+	193.10973	143.7
[M]-	193.11083	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe