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]+ 244.20598 161.9
[M+Na]+ 266.18792 167.5
[M-H]- 242.19142 167.9
[M+NH4]+ 261.23252 185.5
[M+K]+ 282.16186 164.0
[M+H-H2O]+ 226.19596 155.8
[M+HCOO]- 288.19690 183.5
[M+CH3COO]- 302.21255 201.8
[M+Na-2H]- 264.17337 162.7
[M]+ 243.19815 162.0
[M]- 243.19925 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.