CID 11863649

181657-56-7

Structural Information

Molecular Formula
C12H17NO
SMILES
C1C[C@H]([C@@H](C1)OCC2=CC=CC=C2)N
InChI
InChI=1S/C12H17NO/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12-/m1/s1
InChIKey
JIMSXLUBRRQALI-VXGBXAGGSA-N
Compound name
(1R,2R)-2-phenylmethoxycyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

457
Patents

191.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.1
[M+Na]+ 214.12023 154.9
[M+NH4]+ 209.16483 153.4
[M+K]+ 230.09417 149.6
[M-H]- 190.12373 148.5
[M+Na-2H]- 212.10568 151.1
[M]+ 191.13046 146.7
[M]- 191.13156 146.7
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