CID 3016871

2-ethylnonan-1-ol

Structural Information

Molecular Formula
C11H24O
SMILES
CCCCCCCC(CC)CO
InChI
InChI=1S/C11H24O/c1-3-5-6-7-8-9-11(4-2)10-12/h11-12H,3-10H2,1-2H3
InChIKey
GGJSWHVQHRPELC-UHFFFAOYSA-N
Compound name
2-ethylnonan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

172.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.189986 146.2
[M+Na]+ 195.171928 150.7
[M-H]- 171.175434 144.3
[M+NH4]+ 190.216533 166.2
[M+K]+ 211.145868 149.3
[M+H-H2O]+ 155.179970 141.2
[M+HCOO]- 217.180911 166.1
[M+CH3COO]- 231.196561 182.5
[M+Na-2H]- 193.157376 148.8
[M]+ 172.18216142 148.3
[M]- 172.18325858 148.3
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