CID 14614417

2,4,8-trimethyl-7-nonen-2-ol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CC(CCC=C(C)C)CC(C)(C)O

InChI

InChI=1S/C12H24O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,11,13H,6,8-9H2,1-5H3

InChIKey

QRDZETOZNQTTCN-UHFFFAOYSA-N

Compound name

2,4,8-trimethylnon-7-en-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 67
Patents: 184.18271 Da
Monoisotopic Mass: 3.8
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]+	185.18999	148.3
[M+Na]+	207.17193	153.2
[M-H]-	183.17543	146.8
[M+NH4]+	202.21653	168.0
[M+K]+	223.14587	151.7
[M+H-H2O]+	167.17997	144.2
[M+HCOO]-	229.18091	165.7
[M+CH3COO]-	243.19656	185.0
[M+Na-2H]-	205.15738	150.0
[M]+	184.18216	148.9
[M]-	184.18326	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe