CID 3058678

75463-61-5

Structural Information

Molecular Formula
C14H19N
SMILES
CCNC1CCC2=C1C=C3CCCC3=C2
InChI
InChI=1S/C14H19N/c1-2-15-14-7-6-12-8-10-4-3-5-11(10)9-13(12)14/h8-9,14-15H,2-7H2,1H3
InChIKey
ULVPGIISRQGNAW-UHFFFAOYSA-N
Compound name
N-ethyl-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

201.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 146.5
[M+Na]+ 224.140968 153.4
[M-H]- 200.144474 151.6
[M+NH4]+ 219.185573 171.3
[M+K]+ 240.114908 149.3
[M+H-H2O]+ 184.149010 141.2
[M+HCOO]- 246.149951 168.8
[M+CH3COO]- 260.165601 159.5
[M+Na-2H]- 222.126416 150.0
[M]+ 201.15120142 144.5
[M]- 201.15229858 144.5
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.