CID 3646019

7-ethyl-2-methylundecanol

Structural Information

Molecular Formula
C14H30O
SMILES
CCCCC(CC)CCCCC(C)CO
InChI
InChI=1S/C14H30O/c1-4-6-10-14(5-2)11-8-7-9-13(3)12-15/h13-15H,4-12H2,1-3H3
InChIKey
GWLGHNGTPVNKTG-UHFFFAOYSA-N
Compound name
7-ethyl-2-methylundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

214.22966 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.23694 160.5
[M+Na]+ 237.21888 163.6
[M-H]- 213.22238 158.1
[M+NH4]+ 232.26348 178.7
[M+K]+ 253.19282 161.7
[M+H-H2O]+ 197.22692 155.0
[M+HCOO]- 259.22786 178.4
[M+CH3COO]- 273.24351 192.3
[M+Na-2H]- 235.20433 160.2
[M]+ 214.22911 163.0
[M]- 214.23021 163.0
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