CID 99994

82589-54-6

Structural Information

Molecular Formula
C13H17NO
SMILES
COC1=CC2=C(CN3CCCC3C2)C=C1
InChI
InChI=1S/C13H17NO/c1-15-13-5-4-10-9-14-6-2-3-12(14)7-11(10)8-13/h4-5,8,12H,2-3,6-7,9H2,1H3
InChIKey
PJOPXNOWAOAONT-UHFFFAOYSA-N
Compound name
8-methoxy-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.5
[M+Na]+ 226.12023 158.0
[M+NH4]+ 221.16483 155.9
[M+K]+ 242.09417 151.9
[M-H]- 202.12373 148.4
[M+Na-2H]- 224.10568 150.2
[M]+ 203.13046 148.1
[M]- 203.13156 148.1
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.