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

188
Patents

99.06841 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 115.4
[M+Na]+ 122.057628 125.7
[M-H]- 98.061134 121.4
[M+NH4]+ 117.102233 135.0
[M+K]+ 138.031568 124.6
[M+H-H2O]+ 82.065670 110.6
[M+HCOO]- 144.066611 138.4
[M+CH3COO]- 158.082261 171.2
[M+Na-2H]- 120.043076 123.3
[M]+ 99.06786142 116.4
[M]- 99.06895858 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