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]+ 214.15903 150.1
[M+Na]+ 236.14097 157.8
[M-H]- 212.14447 153.2
[M+NH4]+ 231.18557 174.9
[M+K]+ 252.11491 152.8
[M+H-H2O]+ 196.14901 144.2
[M+HCOO]- 258.14995 166.3
[M+CH3COO]- 272.16560 162.2
[M+Na-2H]- 234.12642 152.7
[M]+ 213.15120 147.6
[M]- 213.15230 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.