CID 3021404

1-amino-3-(cyclooctyloxy)-2-propanol

Structural Information

Molecular Formula
C11H23NO2
SMILES
C1CCCC(CCC1)OCC(CN)O
InChI
InChI=1S/C11H23NO2/c12-8-10(13)9-14-11-6-4-2-1-3-5-7-11/h10-11,13H,1-9,12H2
InChIKey
WPXCHYJOFMZFSC-UHFFFAOYSA-N
Compound name
1-amino-3-cyclooctyloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.17288 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 149.4
[M+Na]+ 224.16210 152.2
[M-H]- 200.16560 149.9
[M+NH4]+ 219.20670 157.5
[M+K]+ 240.13604 152.8
[M+H-H2O]+ 184.17014 145.8
[M+HCOO]- 246.17108 157.5
[M+CH3COO]- 260.18673 222.9
[M+Na-2H]- 222.14755 148.7
[M]+ 201.17233 146.8
[M]- 201.17343 146.8
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