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]+ 224.14452 151.4
[M+Na]+ 246.12646 155.8
[M-H]- 222.12996 154.2
[M+NH4]+ 241.17106 169.9
[M+K]+ 262.10040 152.2
[M+H-H2O]+ 206.13450 144.1
[M+HCOO]- 268.13544 168.8
[M+CH3COO]- 282.15109 188.0
[M+Na-2H]- 244.11191 154.3
[M]+ 223.13669 142.6
[M]- 223.13779 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.