CID 1827586

S-indacene-4-butanamine, 1,2,3,5,6,7-hexahydro-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C18H27N
SMILES
CN(C)CCCCC1=C2CCCC2=CC3=C1CCC3
InChI
InChI=1S/C18H27N/c1-19(2)12-4-3-9-18-16-10-5-7-14(16)13-15-8-6-11-17(15)18/h13H,3-12H2,1-2H3
InChIKey
PZGZGSYRQUAJKG-UHFFFAOYSA-N
Compound name
4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21436 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 164.2
[M+Na]+ 280.20358 174.1
[M+NH4]+ 275.24818 174.7
[M+K]+ 296.17752 169.2
[M-H]- 256.20708 168.1
[M+Na-2H]- 278.18903 167.5
[M]+ 257.21381 166.7
[M]- 257.21491 166.7
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.