CID 167727838

3,5,7-trimethylnonan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.205636 151.4
[M+Na]+ 209.187578 155.1
[M-H]- 185.191084 149.5
[M+NH4]+ 204.232183 170.7
[M+K]+ 225.161518 154.3
[M+H-H2O]+ 169.195620 146.4
[M+HCOO]- 231.196561 169.0
[M+CH3COO]- 245.212211 187.2
[M+Na-2H]- 207.173026 150.9
[M]+ 186.19781142 152.5
[M]- 186.19890858 152.5
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