CID 13026459

1379292-68-8

Structural Information

Molecular Formula
C13H17N
SMILES
C1CC2CC3=CC=CC=C3CC1C2N
InChI
InChI=1S/C13H17N/c14-13-11-5-6-12(13)8-10-4-2-1-3-9(10)7-11/h1-4,11-13H,5-8,14H2
InChIKey
YCLLIDPFIZIHBB-UHFFFAOYSA-N
Compound name
tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

187.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 139.9
[M+Na]+ 210.12532 145.7
[M-H]- 186.12882 144.6
[M+NH4]+ 205.16992 162.5
[M+K]+ 226.09926 144.4
[M+H-H2O]+ 170.13336 136.2
[M+HCOO]- 232.13430 159.0
[M+CH3COO]- 246.14995 152.1
[M+Na-2H]- 208.11077 145.2
[M]+ 187.13555 133.5
[M]- 187.13665 133.5
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

patents stripe