CID 146082021

2-oxabicyclo[3.1.1]heptan-4-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CC1OCC2N
InChI
InChI=1S/C6H11NO/c7-6-3-8-5-1-4(6)2-5/h4-6H,1-3,7H2
InChIKey
ZFDMYXRXSBKBLF-UHFFFAOYSA-N
Compound name
2-oxabicyclo[3.1.1]heptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 124.4
[M+Na]+ 136.073278 129.1
[M-H]- 112.076784 124.0
[M+NH4]+ 131.117883 143.1
[M+K]+ 152.047218 132.7
[M+H-H2O]+ 96.081320 115.8
[M+HCOO]- 158.082261 138.9
[M+CH3COO]- 172.097911 136.6
[M+Na-2H]- 134.058726 136.2
[M]+ 113.08351142 133.4
[M]- 113.08460858 133.4
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