CID 104454130

2-methyl-1-{[(1r,4r)-4-aminocyclohexyl]oxy}propan-2-ol hydrochloride

Structural Information

Molecular Formula
C10H21NO2
SMILES
CC(C)(COC1CCC(CC1)N)O
InChI
InChI=1S/C10H21NO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h8-9,12H,3-7,11H2,1-2H3
InChIKey
GLQYJJIXLLMSGF-UHFFFAOYSA-N
Compound name
1-(4-aminocyclohexyl)oxy-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

187.15723 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.16451 144.7
[M+Na]+ 210.14645 148.6
[M-H]- 186.14995 145.5
[M+NH4]+ 205.19105 163.2
[M+K]+ 226.12039 147.2
[M+H-H2O]+ 170.15449 139.4
[M+HCOO]- 232.15543 162.2
[M+CH3COO]- 246.17108 182.6
[M+Na-2H]- 208.13190 148.1
[M]+ 187.15668 139.8
[M]- 187.15778 139.8
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