CID 853687

71581-92-5

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CC[C@@H]([C@@H](C1)CO)NCC2=CC=CC=C2
InChI
InChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m0/s1
InChIKey
BRQFIORUNWWNBM-KBPBESRZSA-N
Compound name
[(1R,2S)-2-(benzylamino)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

256
Patents

219.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.9
[M+Na]+ 242.15153 164.2
[M+NH4]+ 237.19613 162.0
[M+K]+ 258.12547 156.4
[M-H]- 218.15503 157.7
[M+Na-2H]- 240.13698 160.3
[M]+ 219.16176 155.7
[M]- 219.16286 155.7
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