CID 10220107

1235568-21-4

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1CC[C@@]([C@H](C1)CN)(C2=CC(=CC=C2)O)O
InChI
InChI=1S/C13H19NO2/c14-9-11-4-1-2-7-13(11,16)10-5-3-6-12(15)8-10/h3,5-6,8,11,15-16H,1-2,4,7,9,14H2/t11-,13+/m1/s1
InChIKey
MJTYLDGVLFSXDG-YPMHNXCESA-N
Compound name
3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

221.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.1
[M+Na]+ 244.13081 161.8
[M+NH4]+ 239.17541 160.7
[M+K]+ 260.10475 153.9
[M-H]- 220.13431 154.8
[M+Na-2H]- 242.11626 158.7
[M]+ 221.14104 153.6
[M]- 221.14214 153.6
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

patents stripe