CID 56843582

67643-70-3

Structural Information

Molecular Formula

C₁₃H₂₃NO₂

SMILES

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

InChI

InChI=1S/C13H23NO2/c1-7-13(4,10-8-9-11(2)3)16-12(15)14(5)6/h7,9H,1,8,10H2,2-6H3

InChIKey

YIGYAWHTWIGTAQ-UHFFFAOYSA-N

Compound name

3,7-dimethylocta-1,6-dien-3-yl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 83
Patents: 225.17288 Da
Monoisotopic Mass: 3.3
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]+	226.180156	156.0
[M+Na]+	248.162098	160.9
[M-H]-	224.165604	157.3
[M+NH4]+	243.206703	175.0
[M+K]+	264.136038	160.7
[M+H-H2O]+	208.170140	150.8
[M+HCOO]-	270.171081	176.8
[M+CH3COO]-	284.186731	197.8
[M+Na-2H]-	246.147546	157.4
[M]+	225.17233142	159.3
[M]-	225.17342858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe