CID 1229941

Vufb-12304

Structural Information

Molecular Formula
C18H27N
SMILES
CC(C)(CC1=C2CCCC2=CC3=C1CCC3)N(C)C
InChI
InChI=1S/C18H27N/c1-18(2,19(3)4)12-17-15-9-5-7-13(15)11-14-8-6-10-16(14)17/h11H,5-10,12H2,1-4H3
InChIKey
RDHLIAZBXSQLBP-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,N,2-trimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21436 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 163.4
[M+Na]+ 280.20358 172.8
[M+NH4]+ 275.24818 173.6
[M+K]+ 296.17752 169.3
[M-H]- 256.20708 166.6
[M+Na-2H]- 278.18903 166.8
[M]+ 257.21381 165.7
[M]- 257.21491 165.7
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.