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

267
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 112.6
[M+Na]+ 136.07328 116.9
[M-H]- 112.07678 118.4
[M+NH4]+ 131.11788 122.2
[M+K]+ 152.04722 123.1
[M+H-H2O]+ 96.081320 99.7
[M+HCOO]- 158.08226 131.6
[M+CH3COO]- 172.09791 183.0
[M+Na-2H]- 134.05873 121.0
[M]+ 113.08351 126.1
[M]- 113.08461 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