CID 123951800

2253632-53-8

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC2(CC1OC2)N
InChI
InChI=1S/C6H11NO/c7-6-2-1-5(3-6)8-4-6/h5H,1-4,7H2
InChIKey
YJOCNEVFWOGVQR-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.1]heptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 120.9
[M+Na]+ 136.073278 128.3
[M-H]- 112.076784 124.0
[M+NH4]+ 131.117883 148.7
[M+K]+ 152.047218 128.2
[M+H-H2O]+ 96.081320 117.5
[M+HCOO]- 158.082261 142.9
[M+CH3COO]- 172.097911 135.5
[M+Na-2H]- 134.058726 128.4
[M]+ 113.08351142 118.2
[M]- 113.08460858 118.2
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