CID 52988031

3-oxabicyclo[3.1.0]hexan-6-amine hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1C2C(C2N)CO1
InChI
InChI=1S/C5H9NO/c6-5-3-1-7-2-4(3)5/h3-5H,1-2,6H2
InChIKey
UVMHKNOMRGEMLC-UHFFFAOYSA-N
Compound name
3-oxabicyclo[3.1.0]hexan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

99.06841 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 115.4
[M+Na]+ 122.05763 125.7
[M-H]- 98.061134 121.4
[M+NH4]+ 117.10223 135.0
[M+K]+ 138.03157 124.6
[M+H-H2O]+ 82.065670 110.6
[M+HCOO]- 144.06661 138.4
[M+CH3COO]- 158.08226 171.2
[M+Na-2H]- 120.04308 123.3
[M]+ 99.067861 116.4
[M]- 99.068959 116.4
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

patents stripe