CID 44153381

75343-56-5

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCN2C(C1)[C@@H](OC2N)C3=CC=CC=C3
InChI
InChI=1S/C13H18N2O/c14-13-15-9-5-4-8-11(15)12(16-13)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9,14H2/t11?,12-,13?/m0/s1
InChIKey
WRVXIABJQXZKIL-CPCZMJQVSA-N
Compound name
(1S)-1-phenyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 148.8
[M+Na]+ 241.131118 154.3
[M-H]- 217.134624 154.4
[M+NH4]+ 236.175723 166.7
[M+K]+ 257.105058 151.7
[M+H-H2O]+ 201.139160 141.3
[M+HCOO]- 263.140101 166.8
[M+CH3COO]- 277.155751 160.4
[M+Na-2H]- 239.116566 152.5
[M]+ 218.14135142 143.1
[M]- 218.14244858 143.1
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

No patent data available for this compound.