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
3
Annotation Hits

0
References

16
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 151.3
[M+Na]+ 244.13081 156.4
[M-H]- 220.13431 154.5
[M+NH4]+ 239.17541 169.6
[M+K]+ 260.10475 152.6
[M+H-H2O]+ 204.13885 145.3
[M+HCOO]- 266.13979 169.5
[M+CH3COO]- 280.15544 185.3
[M+Na-2H]- 242.11626 155.0
[M]+ 221.14104 144.4
[M]- 221.14214 144.4
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