CID 100043

82589-55-7

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC1=C(C=C2CN3CCCC3CC2=C1)OC
InChI
InChI=1S/C14H19NO2/c1-16-13-7-10-6-12-4-3-5-15(12)9-11(10)8-14(13)17-2/h7-8,12H,3-6,9H2,1-2H3
InChIKey
CDRRBHVPZHSQOE-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-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

233.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.0
[M+Na]+ 256.13081 160.5
[M-H]- 232.13431 156.6
[M+NH4]+ 251.17541 173.7
[M+K]+ 272.10475 157.4
[M+H-H2O]+ 216.13885 146.2
[M+HCOO]- 278.13979 171.1
[M+CH3COO]- 292.15544 165.1
[M+Na-2H]- 254.11626 156.8
[M]+ 233.14104 153.1
[M]- 233.14214 153.1
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.