CID 155859021

2580199-45-5

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CC1(COC2)N
InChI
InChI=1S/C6H11NO/c7-6-1-5(2-6)3-8-4-6/h5H,1-4,7H2
InChIKey
YQPGSXWEFXNCFR-UHFFFAOYSA-N
Compound name
3-oxabicyclo[3.1.1]heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 126.6
[M+Na]+ 136.07328 131.6
[M-H]- 112.07678 126.3
[M+NH4]+ 131.11788 147.0
[M+K]+ 152.04722 134.9
[M+H-H2O]+ 96.081320 118.4
[M+HCOO]- 158.08226 141.0
[M+CH3COO]- 172.09791 138.8
[M+Na-2H]- 134.05873 139.8
[M]+ 113.08351 135.6
[M]- 113.08461 135.6
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

No patent data available for this compound.