CID 3016008

6,10-dimethylundecan-2-ol

Structural Information

Molecular Formula
C13H28O
SMILES
CC(C)CCCC(C)CCCC(C)O
InChI
InChI=1S/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3
InChIKey
GNJORAZPXCKMSY-UHFFFAOYSA-N
Compound name
6,10-dimethylundecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

200.21402 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.22130 156.1
[M+Na]+ 223.20324 159.4
[M-H]- 199.20674 153.9
[M+NH4]+ 218.24784 174.8
[M+K]+ 239.17718 158.2
[M+H-H2O]+ 183.21128 150.9
[M+HCOO]- 245.21222 173.3
[M+CH3COO]- 259.22787 190.2
[M+Na-2H]- 221.18869 155.0
[M]+ 200.21347 157.6
[M]- 200.21457 157.6
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