CID 337532

79415-69-3

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CN(C)CC=C=CC(CC=C)CO

InChI

InChI=1S/C11H19NO/c1-4-7-11(10-13)8-5-6-9-12(2)3/h4,6,8,11,13H,1,7,9-10H2,2-3H3

InChIKey

VYFONFVXJTXMBP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.14667 Da
Monoisotopic Mass: 0.9
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]+	182.15395	145.9
[M+Na]+	204.13589	150.8
[M-H]-	180.13939	145.6
[M+NH4]+	199.18049	165.7
[M+K]+	220.10983	148.8
[M+H-H2O]+	164.14393	140.5
[M+HCOO]-	226.14487	168.0
[M+CH3COO]-	240.16052	186.7
[M+Na-2H]-	202.12134	148.0
[M]+	181.14612	146.1
[M]-	181.14722	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.