CID 115488

Win 5579

Structural Information

Molecular Formula
C11H23NO2
SMILES
CC(C)NCC(C1CCC(CC1)O)O
InChI
InChI=1S/C11H23NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h8-14H,3-7H2,1-2H3
InChIKey
VZSFNWNPGOTXER-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.17288 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 150.3
[M+Na]+ 224.16210 152.4
[M-H]- 200.16560 149.9
[M+NH4]+ 219.20670 167.5
[M+K]+ 240.13604 150.8
[M+H-H2O]+ 184.17014 144.6
[M+HCOO]- 246.17108 166.2
[M+CH3COO]- 260.18673 185.2
[M+Na-2H]- 222.14755 150.4
[M]+ 201.17233 144.0
[M]- 201.17343 144.0
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