CID 12850951

4-oxatricyclo[4.2.1.0,3,7]nonan-2-amine hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
C1C2CC3C1COC3C2N
InChI
InChI=1S/C8H13NO/c9-7-4-1-5-3-10-8(7)6(5)2-4/h4-8H,1-3,9H2
InChIKey
JPCBVKFUWMYCBT-UHFFFAOYSA-N
Compound name
4-oxatricyclo[4.2.1.03,7]nonan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.8
[M+Na]+ 162.088938 136.2
[M-H]- 138.092444 132.2
[M+NH4]+ 157.133543 156.7
[M+K]+ 178.062878 135.4
[M+H-H2O]+ 122.096980 126.0
[M+HCOO]- 184.097921 149.1
[M+CH3COO]- 198.113571 142.9
[M+Na-2H]- 160.074386 132.4
[M]+ 139.09917142 127.4
[M]- 139.10026858 127.4
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.