CID 137944176

2260936-52-3

Structural Information

Molecular Formula
C5H9NO
SMILES
C1C2CC1(CO2)N
InChI
InChI=1S/C5H9NO/c6-5-1-4(2-5)7-3-5/h4H,1-3,6H2
InChIKey
DSSBJDATWRZQHE-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.1.1]hexan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

99.06841 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.5
[M+Na]+ 122.05763 126.1
[M-H]- 98.061134 121.3
[M+NH4]+ 117.10223 143.4
[M+K]+ 138.03157 129.0
[M+H-H2O]+ 82.065670 113.4
[M+HCOO]- 144.06661 138.8
[M+CH3COO]- 158.08226 133.6
[M+Na-2H]- 120.04308 129.8
[M]+ 99.067861 130.6
[M]- 99.068959 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe