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]+ 219.14918 148.8
[M+Na]+ 241.13112 154.3
[M-H]- 217.13462 154.4
[M+NH4]+ 236.17572 166.7
[M+K]+ 257.10506 151.7
[M+H-H2O]+ 201.13916 141.3
[M+HCOO]- 263.14010 166.8
[M+CH3COO]- 277.15575 160.4
[M+Na-2H]- 239.11657 152.5
[M]+ 218.14135 143.1
[M]- 218.14245 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.