CID 40142

57458-46-5

Structural Information

Molecular Formula
C15H19N
SMILES
CN1C2CCC1[C@H]3CC4=CC=CC=C4[C@H]3C2
InChI
InChI=1S/C15H19N/c1-16-11-6-7-15(16)14-8-10-4-2-3-5-12(10)13(14)9-11/h2-5,11,13-15H,6-9H2,1H3/t11?,13-,14+,15?/m1/s1
InChIKey
DQOCUOSYTMEEEY-YTELLUSKSA-N
Compound name
(2S,10S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 150.1
[M+Na]+ 236.140968 157.8
[M-H]- 212.144474 153.2
[M+NH4]+ 231.185573 174.9
[M+K]+ 252.114908 152.8
[M+H-H2O]+ 196.149010 144.2
[M+HCOO]- 258.149951 166.3
[M+CH3COO]- 272.165601 162.2
[M+Na-2H]- 234.126416 152.7
[M]+ 213.15120142 147.6
[M]- 213.15229858 147.6
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.