CID 126422484

2307776-44-7

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

6
Patents

99.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 116.2
[M+Na]+ 122.05763 126.3
[M-H]- 98.061134 122.1
[M+NH4]+ 117.10223 137.3
[M+K]+ 138.03157 126.1
[M+H-H2O]+ 82.065670 112.1
[M+HCOO]- 144.06661 138.8
[M+CH3COO]- 158.08226 169.7
[M+Na-2H]- 120.04308 125.7
[M]+ 99.067861 117.2
[M]- 99.068959 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