CID 147511

Nitroso-landrin

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C11H14N2O3/c1-7-5-6-10(9(3)8(7)2)16-11(14)13(4)12-15/h5-6H,1-4H3

InChIKey

BOMIVRYJPJDQRT-UHFFFAOYSA-N

Compound name

(2,3,4-trimethylphenyl) N-methyl-N-nitrosocarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
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	146.7
[M+Na]+	245.089668	155.2
[M-H]-	221.093174	154.0
[M+NH4]+	240.134273	166.4
[M+K]+	261.063608	156.1
[M+H-H2O]+	205.097710	139.9
[M+HCOO]-	267.098651	174.7
[M+CH3COO]-	281.114301	200.7
[M+Na-2H]-	243.075116	150.9
[M]+	222.09990142	152.3
[M]-	222.10099858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe