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]+ 264.174676 161.3
[M+Na]+ 286.156618 167.4
[M-H]- 262.160124 169.4
[M+NH4]+ 281.201223 183.0
[M+K]+ 302.130558 161.4
[M+H-H2O]+ 246.164660 154.5
[M+HCOO]- 308.165601 183.4
[M+CH3COO]- 322.181251 173.2
[M+Na-2H]- 284.142066 164.1
[M]+ 263.16685142 158.5
[M]- 263.16794858 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.