CID 3019705

2,4,6-trimethylnonan-4-ol

Structural Information

Molecular Formula
C12H26O
SMILES
CCCC(C)CC(C)(CC(C)C)O
InChI
InChI=1S/C12H26O/c1-6-7-11(4)9-12(5,13)8-10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKey
RTGWCORQKNEYIB-UHFFFAOYSA-N
Compound name
2,4,6-trimethylnonan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.205636 149.9
[M+Na]+ 209.187578 154.3
[M-H]- 185.191084 148.3
[M+NH4]+ 204.232183 169.4
[M+K]+ 225.161518 153.5
[M+H-H2O]+ 169.195620 145.6
[M+HCOO]- 231.196561 167.0
[M+CH3COO]- 245.212211 186.7
[M+Na-2H]- 207.173026 151.5
[M]+ 186.19781142 151.3
[M]- 186.19890858 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe