CID 15448

2-undecanol

Structural Information

Molecular Formula
C11H24O
SMILES
CCCCCCCCCC(C)O
InChI
InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
InChIKey
XMUJIPOFTAHSOK-UHFFFAOYSA-N
Compound name
undecan-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

10
References

5695
Patents

172.18271 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.18999 146.2
[M+Na]+ 195.17193 150.7
[M-H]- 171.17543 144.3
[M+NH4]+ 190.21653 166.2
[M+K]+ 211.14587 149.3
[M+H-H2O]+ 155.17997 141.2
[M+HCOO]- 217.18091 166.1
[M+CH3COO]- 231.19656 182.5
[M+Na-2H]- 193.15738 148.8
[M]+ 172.18216 148.3
[M]- 172.18326 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

literature stripe

Patent stripe

patents stripe