CID 520069

1-decanol, 2,2-dimethyl-

Structural Information

Molecular Formula
C12H26O
SMILES
CCCCCCCCC(C)(C)CO
InChI
InChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2,3)11-13/h13H,4-11H2,1-3H3
InChIKey
OSJLCOMCKUOKDD-UHFFFAOYSA-N
Compound name
2,2-dimethyldecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

186.19836 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.205636 150.2
[M+Na]+ 209.187578 155.0
[M-H]- 185.191084 148.3
[M+NH4]+ 204.232183 169.8
[M+K]+ 225.161518 153.2
[M+H-H2O]+ 169.195620 145.6
[M+HCOO]- 231.196561 169.2
[M+CH3COO]- 245.212211 185.1
[M+Na-2H]- 207.173026 154.2
[M]+ 186.19781142 152.9
[M]- 186.19890858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe