CID 138006582

2241139-45-5

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2CC(C1)(CO2)N
InChI
InChI=1S/C7H13NO/c8-7-3-1-2-6(4-7)9-5-7/h6H,1-5,8H2
InChIKey
SFMAUUPUQTZBRK-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.2.1]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 124.6
[M+Na]+ 150.08894 130.7
[M-H]- 126.09244 127.2
[M+NH4]+ 145.13354 150.0
[M+K]+ 166.06288 130.3
[M+H-H2O]+ 110.09698 120.4
[M+HCOO]- 172.09792 144.1
[M+CH3COO]- 186.11357 138.1
[M+Na-2H]- 148.07439 132.9
[M]+ 127.09917 120.1
[M]- 127.10027 120.1
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.