CID 36698

10,11-dihydro-5-amino-5h-benzo(4,5)cyclohepta(1,2-b)pyridine oxalate

Structural Information

Molecular Formula
C14H14N2
SMILES
C1CC2=C(C=CC=N2)C(C3=CC=CC=C31)N
InChI
InChI=1S/C14H14N2/c15-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-16-13/h1-6,9,14H,7-8,15H2
InChIKey
MUTFWZWRNVDCMV-UHFFFAOYSA-N
Compound name
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.122966 144.2
[M+Na]+ 233.104908 151.5
[M-H]- 209.108414 149.2
[M+NH4]+ 228.149513 162.5
[M+K]+ 249.078848 150.7
[M+H-H2O]+ 193.112950 138.3
[M+HCOO]- 255.113891 164.1
[M+CH3COO]- 269.129541 156.3
[M+Na-2H]- 231.090356 152.8
[M]+ 210.11514142 138.9
[M]- 210.11623858 138.9
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

patents stripe