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]+ 244.205976 161.5
[M+Na]+ 266.187918 167.9
[M-H]- 242.191424 166.9
[M+NH4]+ 261.232523 182.7
[M+K]+ 282.161858 164.7
[M+H-H2O]+ 226.195960 154.7
[M+HCOO]- 288.196901 185.5
[M+CH3COO]- 302.212551 203.4
[M+Na-2H]- 264.173366 164.1
[M]+ 243.19815142 165.0
[M]- 243.19924858 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.