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]+ 202.15903 146.5
[M+Na]+ 224.14097 153.4
[M-H]- 200.14447 151.6
[M+NH4]+ 219.18557 171.3
[M+K]+ 240.11491 149.3
[M+H-H2O]+ 184.14901 141.2
[M+HCOO]- 246.14995 168.8
[M+CH3COO]- 260.16560 159.5
[M+Na-2H]- 222.12642 150.0
[M]+ 201.15120 144.5
[M]- 201.15230 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.