CID 3047959

63869-48-7

Structural Information

Molecular Formula
C14H19N
SMILES
CC12CCN(C(C1)CC3=CC=CC=C23)C
InChI
InChI=1S/C14H19N/c1-14-7-8-15(2)12(10-14)9-11-5-3-4-6-13(11)14/h3-6,12H,7-10H2,1-2H3
InChIKey
ITHKRTOERRMJFA-UHFFFAOYSA-N
Compound name
1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 146.4
[M+Na]+ 224.140968 153.6
[M-H]- 200.144474 148.3
[M+NH4]+ 219.185573 169.0
[M+K]+ 240.114908 149.5
[M+H-H2O]+ 184.149010 139.2
[M+HCOO]- 246.149951 161.6
[M+CH3COO]- 260.165601 158.1
[M+Na-2H]- 222.126416 154.5
[M]+ 201.15120142 143.1
[M]- 201.15229858 143.1
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