CID 119030927

3-phenyl-octahydropyrano[4,3-b]pyrrole

Structural Information

Molecular Formula
C13H17NO
SMILES
C1COCC2C1NCC2C3=CC=CC=C3
InChI
InChI=1S/C13H17NO/c1-2-4-10(5-3-1)11-8-14-13-6-7-15-9-12(11)13/h1-5,11-14H,6-9H2
InChIKey
WGGHLOAPDUROBO-UHFFFAOYSA-N
Compound name
3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.0
[M+Na]+ 226.12023 150.0
[M-H]- 202.12373 149.4
[M+NH4]+ 221.16483 163.1
[M+K]+ 242.09417 146.9
[M+H-H2O]+ 186.12827 137.8
[M+HCOO]- 248.12921 161.1
[M+CH3COO]- 262.14486 156.3
[M+Na-2H]- 224.10568 149.4
[M]+ 203.13046 138.6
[M]- 203.13156 138.6
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.