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

2
Annotation Hits: 0
References: 74
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]+	226.18016	156.8
[M+Na]+	248.16210	164.2
[M+NH4]+	243.20670	162.4
[M+K]+	264.13604	160.2
[M-H]-	224.16560	154.9
[M+Na-2H]-	246.14755	158.0
[M]+	225.17233	157.0
[M]-	225.17343	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe