CID 2724650

(1r,2r)-2-(benzylamino)cyclohexanol

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CC[C@H]([C@@H](C1)NCC2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1
InChIKey
NJNCYFUGUYIMEQ-CHWSQXEVSA-N
Compound name
(1R,2R)-2-(benzylamino)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

205.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.4
[M+Na]+ 228.13589 159.9
[M+NH4]+ 223.18049 157.6
[M+K]+ 244.10983 152.3
[M-H]- 204.13939 153.3
[M+Na-2H]- 226.12134 156.1
[M]+ 205.14612 151.3
[M]- 205.14722 151.3
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