CID 3058658

75463-34-2

Structural Information

Molecular Formula
C19H21N
SMILES
C1CC2=CC3=C(C=C2C1)C(CC3)NCC4=CC=CC=C4
InChI
InChI=1S/C19H21N/c1-2-5-14(6-3-1)13-20-19-10-9-17-11-15-7-4-8-16(15)12-18(17)19/h1-3,5-6,11-12,19-20H,4,7-10,13H2
InChIKey
FESWGEJFFDCCPM-UHFFFAOYSA-N
Compound name
N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 161.3
[M+Na]+ 286.15662 167.4
[M-H]- 262.16012 169.4
[M+NH4]+ 281.20122 183.0
[M+K]+ 302.13056 161.4
[M+H-H2O]+ 246.16466 154.5
[M+HCOO]- 308.16560 183.4
[M+CH3COO]- 322.18125 173.2
[M+Na-2H]- 284.14207 164.1
[M]+ 263.16685 158.5
[M]- 263.16795 158.5
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.