CID 5361173

53758-06-8

Structural Information

Molecular Formula
C14H17N
SMILES
C1CC2[C@H]3CC4=CC=CC=C4[C@H]3CC1N2
InChI
InChI=1S/C14H17N/c1-2-4-11-9(3-1)7-13-12(11)8-10-5-6-14(13)15-10/h1-4,10,12-15H,5-8H2/t10?,12-,13+,14?/m1/s1
InChIKey
ZZIUGUCATMAKHV-LJMKDGOPSA-N
Compound name
(2S,10S)-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

199.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 144.8
[M+Na]+ 222.12532 151.7
[M-H]- 198.12882 146.4
[M+NH4]+ 217.16992 169.2
[M+K]+ 238.09926 146.1
[M+H-H2O]+ 182.13336 139.1
[M+HCOO]- 244.13430 159.9
[M+CH3COO]- 258.14995 156.4
[M+Na-2H]- 220.11077 148.4
[M]+ 199.13555 139.9
[M]- 199.13665 139.9
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.