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]+ 190.122646 141.4
[M+Na]+ 212.104588 147.9
[M-H]- 188.108094 146.5
[M+NH4]+ 207.149193 163.7
[M+K]+ 228.078528 145.4
[M+H-H2O]+ 172.112630 135.3
[M+HCOO]- 234.113571 160.2
[M+CH3COO]- 248.129221 154.0
[M+Na-2H]- 210.090036 146.3
[M]+ 189.11482142 136.9
[M]- 189.11591858 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.