CID 3067005

80761-08-6

Structural Information

Molecular Formula
C17H25N
SMILES
CN(C)CCCC1=C2CCCC2=CC3=C1CCC3
InChI
InChI=1S/C17H25N/c1-18(2)11-5-10-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h12H,3-11H2,1-2H3
InChIKey
QRNHLBRYKHCSBI-UHFFFAOYSA-N
Compound name
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.205976 161.9
[M+Na]+ 266.187918 167.5
[M-H]- 242.191424 167.9
[M+NH4]+ 261.232523 185.5
[M+K]+ 282.161858 164.0
[M+H-H2O]+ 226.195960 155.8
[M+HCOO]- 288.196901 183.5
[M+CH3COO]- 302.212551 201.8
[M+Na-2H]- 264.173366 162.7
[M]+ 243.19815142 162.0
[M]- 243.19924858 162.0
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.