CID 126422484

(1r,5r)-3-oxabicyclo[3.1.0]hexan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1[C@H]2[C@@]1(COC2)N
InChI
InChI=1S/C5H9NO/c6-5-1-4(5)2-7-3-5/h4H,1-3,6H2/t4-,5-/m1/s1
InChIKey
YXAQPSXYYWRYCX-RFZPGFLSSA-N
Compound name
(1S,5S)-3-oxabicyclo[3.1.0]hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

99.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 116.2
[M+Na]+ 122.057628 126.3
[M-H]- 98.061134 122.1
[M+NH4]+ 117.102233 137.3
[M+K]+ 138.031568 126.1
[M+H-H2O]+ 82.065670 112.1
[M+HCOO]- 144.066611 138.8
[M+CH3COO]- 158.082261 169.7
[M+Na-2H]- 120.043076 125.7
[M]+ 99.06786142 117.2
[M]- 99.06895858 117.2
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