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

0
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 126.6
[M+Na]+ 136.073278 131.6
[M-H]- 112.076784 126.3
[M+NH4]+ 131.117883 147.0
[M+K]+ 152.047218 134.9
[M+H-H2O]+ 96.081320 118.4
[M+HCOO]- 158.082261 141.0
[M+CH3COO]- 172.097911 138.8
[M+Na-2H]- 134.058726 139.8
[M]+ 113.08351142 135.6
[M]- 113.08460858 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.