CID 202041

7351-49-7

Structural Information

Molecular Formula
C16H17N
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)CN
InChI
InChI=1S/C16H17N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2
InChIKey
YJCNPACNIAQKNY-UHFFFAOYSA-N
Compound name
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

29
Patents

223.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 148.4
[M+Na]+ 246.12532 154.6
[M-H]- 222.12882 154.4
[M+NH4]+ 241.16992 167.4
[M+K]+ 262.09926 153.6
[M+H-H2O]+ 206.13336 143.8
[M+HCOO]- 268.13430 168.9
[M+CH3COO]- 282.14995 160.3
[M+Na-2H]- 244.11077 155.8
[M]+ 223.13555 143.2
[M]- 223.13665 143.2
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