CID 44256515

2,4-dimethyl-5-hepten-1-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

C/C=C/C(C)CC(C)CO

InChI

InChI=1S/C9H18O/c1-4-5-8(2)6-9(3)7-10/h4-5,8-10H,6-7H2,1-3H3/b5-4+

InChIKey

JYALGRAVJMEMPU-SNAWJCMRSA-N

Compound name

(E)-2,4-dimethylhept-5-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 142.13577 Da
Monoisotopic Mass: 2.4
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]+	143.14305	135.8
[M+Na]+	165.12499	141.3
[M-H]-	141.12849	134.4
[M+NH4]+	160.16959	156.9
[M+K]+	181.09893	140.2
[M+H-H2O]+	125.13303	131.4
[M+HCOO]-	187.13397	155.6
[M+CH3COO]-	201.14962	175.7
[M+Na-2H]-	163.11044	138.3
[M]+	142.13522	135.7
[M]-	142.13632	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe