CID 44150

8-amino-1,2,3,5,6,7-hexahydrodicyclopenta(b,e)pyridine hydrate

Structural Information

Molecular Formula
C11H14N2
SMILES
C1CC2=C(C1)N=C3CCCC3=C2N
InChI
InChI=1S/C11H14N2/c12-11-7-3-1-5-9(7)13-10-6-2-4-8(10)11/h1-6H2,(H2,12,13)
InChIKey
GCDWZOSVQXZKLZ-UHFFFAOYSA-N
Compound name
2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

174.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 137.0
[M+Na]+ 197.10491 145.3
[M-H]- 173.10841 140.8
[M+NH4]+ 192.14951 161.3
[M+K]+ 213.07885 141.6
[M+H-H2O]+ 157.11295 131.1
[M+HCOO]- 219.11389 158.5
[M+CH3COO]- 233.12954 150.4
[M+Na-2H]- 195.09036 141.0
[M]+ 174.11514 133.6
[M]- 174.11624 133.6
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