CID 93158

2-(octylamino)ethanol

Structural Information

Molecular Formula
C10H23NO
SMILES
CCCCCCCCNCCO
InChI
InChI=1S/C10H23NO/c1-2-3-4-5-6-7-8-11-9-10-12/h11-12H,2-10H2,1H3
InChIKey
UVYBWDBLVDZIOX-UHFFFAOYSA-N
Compound name
2-(octylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

720
Patents

173.17796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.18524 142.9
[M+Na]+ 196.16718 151.4
[M+NH4]+ 191.21178 150.2
[M+K]+ 212.14112 144.7
[M-H]- 172.17068 142.6
[M+Na-2H]- 194.15263 145.7
[M]+ 173.17741 143.7
[M]- 173.17851 143.7
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