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

4
Patents

210.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 144.2
[M+Na]+ 233.10491 151.5
[M-H]- 209.10841 149.2
[M+NH4]+ 228.14951 162.5
[M+K]+ 249.07885 150.7
[M+H-H2O]+ 193.11295 138.3
[M+HCOO]- 255.11389 164.1
[M+CH3COO]- 269.12954 156.3
[M+Na-2H]- 231.09036 152.8
[M]+ 210.11514 138.9
[M]- 210.11624 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