CID 82287144

890147-13-4

Structural Information

Molecular Formula
C13H18FNO
SMILES
C1CCC(CC1)(C(C2=CC=C(C=C2)F)O)N
InChI
InChI=1S/C13H18FNO/c14-11-6-4-10(5-7-11)12(16)13(15)8-2-1-3-9-13/h4-7,12,16H,1-3,8-9,15H2
InChIKey
NPYYGMJPKBXIOB-UHFFFAOYSA-N
Compound name
(1-aminocyclohexyl)-(4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.144516 151.4
[M+Na]+ 246.126458 155.8
[M-H]- 222.129964 154.2
[M+NH4]+ 241.171063 169.9
[M+K]+ 262.100398 152.2
[M+H-H2O]+ 206.134500 144.1
[M+HCOO]- 268.135441 168.8
[M+CH3COO]- 282.151091 188.0
[M+Na-2H]- 244.111906 154.3
[M]+ 223.13669142 142.6
[M]- 223.13778858 142.6
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.