CID 6086

61-29-0

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCCN1CC2CC3=CC(=C(C=C3C2C1)OC)OC
InChI
InChI=1S/C17H25NO2/c1-4-5-6-18-10-13-7-12-8-16(19-2)17(20-3)9-14(12)15(13)11-18/h8-9,13,15H,4-7,10-11H2,1-3H3
InChIKey
IILZNIQIFFBVOO-UHFFFAOYSA-N
Compound name
2-butyl-6,7-dimethoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.4
[M+Na]+ 298.17776 176.4
[M-H]- 274.18126 172.3
[M+NH4]+ 293.22236 189.6
[M+K]+ 314.15170 172.7
[M+H-H2O]+ 258.18580 162.3
[M+HCOO]- 320.18674 187.6
[M+CH3COO]- 334.20239 202.5
[M+Na-2H]- 296.16321 168.2
[M]+ 275.18799 172.2
[M]- 275.18909 172.2
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.