CID 131858502

5-azatricyclo[5.1.0.0,2,4]octane hydrochloride

Structural Information

Molecular Formula
C7H11N
SMILES
C1C2C1C3CC3NC2
InChI
InChI=1S/C7H11N/c1-4-3-8-7-2-6(7)5(1)4/h4-8H,1-3H2
InChIKey
VRWVPHVYUHQRSR-UHFFFAOYSA-N
Compound name
5-azatricyclo[5.1.0.02,4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

109.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 140.7
[M+Na]+ 132.078368 149.3
[M-H]- 108.081874 144.0
[M+NH4]+ 127.122973 151.8
[M+K]+ 148.052308 146.2
[M+H-H2O]+ 92.086410 134.7
[M+HCOO]- 154.087351 155.9
[M+CH3COO]- 168.103001 150.7
[M+Na-2H]- 130.063816 146.1
[M]+ 109.08860142 141.0
[M]- 109.08969858 141.0
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.