CID 3021403

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

Structural Information

Molecular Formula
C10H21NO2
SMILES
C1CCCC(CC1)OCC(CN)O
InChI
InChI=1S/C10H21NO2/c11-7-9(12)8-13-10-5-3-1-2-4-6-10/h9-10,12H,1-8,11H2
InChIKey
UOEXZNXGQVHYLE-UHFFFAOYSA-N
Compound name
1-amino-3-cycloheptyloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.15723 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.16451 140.3
[M+Na]+ 210.14645 146.1
[M+NH4]+ 205.19105 147.0
[M+K]+ 226.12039 143.2
[M-H]- 186.14995 141.1
[M+Na-2H]- 208.13190 143.6
[M]+ 187.15668 140.9
[M]- 187.15778 140.9
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

No patent data available for this compound.