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]+ 276.195816 168.4
[M+Na]+ 298.177758 176.4
[M-H]- 274.181264 172.3
[M+NH4]+ 293.222363 189.6
[M+K]+ 314.151698 172.7
[M+H-H2O]+ 258.185800 162.3
[M+HCOO]- 320.186741 187.6
[M+CH3COO]- 334.202391 202.5
[M+Na-2H]- 296.163206 168.2
[M]+ 275.18799142 172.2
[M]- 275.18908858 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.