CID 6602181

Ns00122983

Structural Information

Molecular Formula
C15H19N
SMILES
CN(C)[C@H]1[C@@H]2CC=C[C@@H]1CC3=CC=CC=C23
InChI
InChI=1S/C15H19N/c1-16(2)15-12-7-5-9-14(15)13-8-4-3-6-11(13)10-12/h3-8,12,14-15H,9-10H2,1-2H3/t12-,14-,15-/m1/s1
InChIKey
KUBLWHSLTUANRG-BPLDGKMQSA-N
Compound name
(1R,9S,13R)-N,N-dimethyltricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine
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 146.8
[M+Na]+ 236.140968 152.7
[M-H]- 212.144474 151.3
[M+NH4]+ 231.185573 168.5
[M+K]+ 252.114908 149.5
[M+H-H2O]+ 196.149010 140.0
[M+HCOO]- 258.149951 165.9
[M+CH3COO]- 272.165601 159.0
[M+Na-2H]- 234.126416 154.3
[M]+ 213.15120142 145.0
[M]- 213.15229858 145.0
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.