CID 11863651

(1r,2r)-trans-2-benzyloxy-cyclohexylamine

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

393
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 147.0
[M+Na]+ 228.13589 151.0
[M-H]- 204.13939 152.2
[M+NH4]+ 223.18049 165.0
[M+K]+ 244.10983 148.1
[M+H-H2O]+ 188.14393 139.6
[M+HCOO]- 250.14487 168.0
[M+CH3COO]- 264.16052 187.4
[M+Na-2H]- 226.12134 151.2
[M]+ 205.14612 141.5
[M]- 205.14722 141.5
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