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

29233
References

3864
Patents

213.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.15903 148.6
[M+Na]+ 236.14097 155.3
[M-H]- 212.14447 153.4
[M+NH4]+ 231.18557 172.8
[M+K]+ 252.11491 150.6
[M+H-H2O]+ 196.14901 142.3
[M+HCOO]- 258.14995 169.8
[M+CH3COO]- 272.16560 161.1
[M+Na-2H]- 234.12642 155.7
[M]+ 213.15120 145.9
[M]- 213.15230 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

literature stripe

Patent stripe

patents stripe