CID 132313734

2095349-72-5

Structural Information

Molecular Formula
C12H15NO
SMILES
C1[C@H]2COC[C@]2(CN1)C3=CC=CC=C3
InChI
InChI=1S/C12H15NO/c1-2-4-10(5-3-1)12-8-13-6-11(12)7-14-9-12/h1-5,11,13H,6-9H2/t11-,12+/m0/s1
InChIKey
SJTCAJXGUVEVBN-NWDGAFQWSA-N
Compound name
(3aS,6aS)-3a-phenyl-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.4
[M+Na]+ 212.10459 147.9
[M-H]- 188.10809 146.5
[M+NH4]+ 207.14919 163.7
[M+K]+ 228.07853 145.4
[M+H-H2O]+ 172.11263 135.3
[M+HCOO]- 234.11357 160.2
[M+CH3COO]- 248.12922 154.0
[M+Na-2H]- 210.09004 146.3
[M]+ 189.11482 136.9
[M]- 189.11592 136.9
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.