CID 60397

Carbamic acid, 2,5-xylyl ester

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

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

InChI

InChI=1S/C9H11NO2/c1-6-3-4-7(2)8(5-6)12-9(10)11/h3-5H,1-2H3,(H2,10,11)

InChIKey

MDSWSNBMVSKNHN-UHFFFAOYSA-N

Compound name

(2,5-dimethylphenyl) carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 165.07898 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]+	166.08626	133.9
[M+Na]+	188.06820	145.9
[M+NH4]+	183.11280	142.0
[M+K]+	204.04214	140.6
[M-H]-	164.07170	136.0
[M+Na-2H]-	186.05365	140.1
[M]+	165.07843	136.0
[M]-	165.07953	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe