CID 50986266

2-oxa-5-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1COC2CC2N1
InChI
InChI=1S/C5H9NO/c1-2-7-5-3-4(5)6-1/h4-6H,1-3H2
InChIKey
TWWBQCNHUYGMJP-UHFFFAOYSA-N
Compound name
2-oxa-5-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

164
Patents

99.06841 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 121.2
[M+Na]+ 122.05763 130.1
[M-H]- 98.061134 124.3
[M+NH4]+ 117.10223 137.3
[M+K]+ 138.03157 129.1
[M+H-H2O]+ 82.065670 114.9
[M+HCOO]- 144.06661 139.3
[M+CH3COO]- 158.08226 134.3
[M+Na-2H]- 120.04308 130.6
[M]+ 99.067861 120.0
[M]- 99.068959 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

literature stripe

Patent stripe

patents stripe