CID 12264626

7-oxabicyclo[2.2.1]heptan-2-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC2C(CC1O2)N
InChI
InChI=1S/C6H11NO/c7-5-3-4-1-2-6(5)8-4/h4-6H,1-3,7H2
InChIKey
DZOONCSMZVPSHJ-UHFFFAOYSA-N
Compound name
7-oxabicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.2
[M+Na]+ 136.07328 128.4
[M-H]- 112.07678 124.2
[M+NH4]+ 131.11788 147.2
[M+K]+ 152.04722 128.4
[M+H-H2O]+ 96.081320 117.4
[M+HCOO]- 158.08226 143.1
[M+CH3COO]- 172.09791 169.7
[M+Na-2H]- 134.05873 126.9
[M]+ 113.08351 118.5
[M]- 113.08461 118.5
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