CID 57426056

Nefa

Structural Information

Molecular Formula
C15H19N
SMILES
CCN[C@]12CC=CC[C@H]1CC3=CC=CC=C23
InChI
InChI=1S/C15H19N/c1-2-16-15-10-6-5-8-13(15)11-12-7-3-4-9-14(12)15/h3-7,9,13,16H,2,8,10-11H2,1H3/t13-,15+/m0/s1
InChIKey
DRCWOKJLSQUJPZ-DZGCQCFKSA-N
Compound name
(4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29253
References

3505
Patents

213.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 148.6
[M+Na]+ 236.140968 155.3
[M-H]- 212.144474 153.4
[M+NH4]+ 231.185573 172.8
[M+K]+ 252.114908 150.6
[M+H-H2O]+ 196.149010 142.3
[M+HCOO]- 258.149951 169.8
[M+CH3COO]- 272.165601 161.1
[M+Na-2H]- 234.126416 155.7
[M]+ 213.15120142 145.9
[M]- 213.15229858 145.9
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.