CID 125280112

2731369-13-2

Structural Information

Molecular Formula
C17H25N
SMILES
CCCCC1=C(CC2=CC=CC=C21)CCN(C)C
InChI
InChI=1S/C17H25N/c1-4-5-9-16-15(11-12-18(2)3)13-14-8-6-7-10-17(14)16/h6-8,10H,4-5,9,11-13H2,1-3H3
InChIKey
QRBCJHCPOPCDIE-UHFFFAOYSA-N
Compound name
2-(3-butyl-1H-inden-2-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 161.5
[M+Na]+ 266.18792 167.9
[M-H]- 242.19142 166.9
[M+NH4]+ 261.23252 182.7
[M+K]+ 282.16186 164.7
[M+H-H2O]+ 226.19596 154.7
[M+HCOO]- 288.19690 185.5
[M+CH3COO]- 302.21255 203.4
[M+Na-2H]- 264.17337 164.1
[M]+ 243.19815 165.0
[M]- 243.19925 165.0
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.