CID 22273107

8-oxabicyclo[3.2.1]octan-3-amine

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2CC(CC1O2)N
InChI
InChI=1S/C7H13NO/c8-5-3-6-1-2-7(4-5)9-6/h5-7H,1-4,8H2
InChIKey
LTDXJGJQKVIVHB-UHFFFAOYSA-N
Compound name
8-oxabicyclo[3.2.1]octan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

127.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 124.5
[M+Na]+ 150.088938 130.5
[M-H]- 126.092444 127.1
[M+NH4]+ 145.133543 148.2
[M+K]+ 166.062878 130.1
[M+H-H2O]+ 110.096980 120.0
[M+HCOO]- 172.097921 144.0
[M+CH3COO]- 186.113571 172.5
[M+Na-2H]- 148.074386 131.1
[M]+ 127.09917142 120.0
[M]- 127.10026858 120.0
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

patents stripe