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
trans-(1R,2R)-2-phenylmethoxycyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

407
Patents

205.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.0
[M+Na]+ 228.135888 151.0
[M-H]- 204.139394 152.2
[M+NH4]+ 223.180493 165.0
[M+K]+ 244.109828 148.1
[M+H-H2O]+ 188.143930 139.6
[M+HCOO]- 250.144871 168.0
[M+CH3COO]- 264.160521 187.4
[M+Na-2H]- 226.121336 151.2
[M]+ 205.14612142 141.5
[M]- 205.14721858 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