CID 3016636

3-ethylnonan-3-ol

Structural Information

Molecular Formula
C11H24O
SMILES
CCCCCCC(CC)(CC)O
InChI
InChI=1S/C11H24O/c1-4-7-8-9-10-11(12,5-2)6-3/h12H,4-10H2,1-3H3
InChIKey
NDQSUWBMIHEWOD-UHFFFAOYSA-N
Compound name
3-ethylnonan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

172.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.189986 145.6
[M+Na]+ 195.171928 150.8
[M-H]- 171.175434 143.9
[M+NH4]+ 190.216533 165.7
[M+K]+ 211.145868 149.3
[M+H-H2O]+ 155.179970 141.2
[M+HCOO]- 217.180911 165.0
[M+CH3COO]- 231.196561 182.0
[M+Na-2H]- 193.157376 150.1
[M]+ 172.18216142 147.9
[M]- 172.18325858 147.9
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