CID 29342

Carbamic acid, methylnitroso-, m-cumenyl ester

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C11H14N2O3/c1-8(2)9-5-4-6-10(7-9)16-11(14)13(3)12-15/h4-8H,1-3H3

InChIKey

AJHKCJXLTDAPCQ-UHFFFAOYSA-N

Compound name

(3-propan-2-ylphenyl) N-methyl-N-nitrosocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.10045 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]+	223.107726	148.2
[M+Na]+	245.089668	154.6
[M-H]-	221.093174	154.8
[M+NH4]+	240.134273	167.2
[M+K]+	261.063608	155.9
[M+H-H2O]+	205.097710	140.9
[M+HCOO]-	267.098651	175.3
[M+CH3COO]-	281.114301	199.2
[M+Na-2H]-	243.075116	152.6
[M]+	222.09990142	152.4
[M]-	222.10099858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe