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]+ 187.20564 151.4
[M+Na]+ 209.18758 155.1
[M-H]- 185.19108 149.5
[M+NH4]+ 204.23218 170.7
[M+K]+ 225.16152 154.3
[M+H-H2O]+ 169.19562 146.4
[M+HCOO]- 231.19656 169.0
[M+CH3COO]- 245.21221 187.2
[M+Na-2H]- 207.17303 150.9
[M]+ 186.19781 152.5
[M]- 186.19891 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