CID 71303896

2-oxaspiro[3.3]heptan-6-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C(CC12COC2)N
InChI
InChI=1S/C6H11NO/c7-5-1-6(2-5)3-8-4-6/h5H,1-4,7H2
InChIKey
OUFBLTGDJDQVTA-UHFFFAOYSA-N
Compound name
2-oxaspiro[3.3]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 112.6
[M+Na]+ 136.073278 116.9
[M-H]- 112.076784 118.4
[M+NH4]+ 131.117883 122.2
[M+K]+ 152.047218 123.1
[M+H-H2O]+ 96.081320 99.7
[M+HCOO]- 158.082261 131.6
[M+CH3COO]- 172.097911 183.0
[M+Na-2H]- 134.058726 121.0
[M]+ 113.08351142 126.1
[M]- 113.08460858 126.1
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