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 166.9
[M+Na]+ 280.20358 172.5
[M-H]- 256.20708 173.1
[M+NH4]+ 275.24818 190.1
[M+K]+ 296.17752 169.3
[M+H-H2O]+ 240.21162 161.6
[M+HCOO]- 302.21256 186.6
[M+CH3COO]- 316.22821 205.2
[M+Na-2H]- 278.18903 168.2
[M]+ 257.21381 166.9
[M]- 257.21491 166.9
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.