CID 11863651

(1r,2r)-2-(benzyloxy)cyclohexanamine

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CC[C@H]([C@@H](C1)N)OCC2=CC=CC=C2
InChI
InChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m1/s1
InChIKey
NTHNRYLIXJZHRZ-CHWSQXEVSA-N
Compound name
(1R,2R)-2-phenylmethoxycyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
Patents

205.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.1
[M+Na]+ 228.13589 159.9
[M+NH4]+ 223.18049 157.6
[M+K]+ 244.10983 152.3
[M-H]- 204.13939 153.4
[M+Na-2H]- 226.12134 156.0
[M]+ 205.14612 151.2
[M]- 205.14722 151.2
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