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 139.9
[M+Na]+ 210.14645 140.2
[M-H]- 186.14995 141.4
[M+NH4]+ 205.19105 156.5
[M+K]+ 226.12039 143.8
[M+H-H2O]+ 170.15449 134.2
[M+HCOO]- 232.15543 157.4
[M+CH3COO]- 246.17108 183.7
[M+Na-2H]- 208.13190 142.0
[M]+ 187.15668 131.5
[M]- 187.15778 131.5
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.