CID 3018500

2,4-dimethylnonan-4-ol

Structural Information

Molecular Formula
C11H24O
SMILES
CCCCCC(C)(CC(C)C)O
InChI
InChI=1S/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3
InChIKey
ZCYIZHWZWCLYQE-UHFFFAOYSA-N
Compound name
2,4-dimethylnonan-4-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

68
Patents

172.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.18999 145.6
[M+Na]+ 195.17193 150.6
[M-H]- 171.17543 144.0
[M+NH4]+ 190.21653 165.7
[M+K]+ 211.14587 149.5
[M+H-H2O]+ 155.17997 141.3
[M+HCOO]- 217.18091 164.0
[M+CH3COO]- 231.19656 182.8
[M+Na-2H]- 193.15738 148.9
[M]+ 172.18216 147.2
[M]- 172.18326 147.2
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