CID 67169655

1-oxa-6-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1COC12CNC2
InChI
InChI=1S/C5H9NO/c1-2-7-5(1)3-6-4-5/h6H,1-4H2
InChIKey
ZPJGOWOMUISLPL-UHFFFAOYSA-N
Compound name
1-oxa-6-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

485
Patents

99.06841 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 106.9
[M+Na]+ 122.057628 111.5
[M-H]- 98.061134 110.5
[M+NH4]+ 117.102233 115.6
[M+K]+ 138.031568 117.4
[M+H-H2O]+ 82.065670 94.2
[M+HCOO]- 144.066611 123.6
[M+CH3COO]- 158.082261 175.9
[M+Na-2H]- 120.043076 116.9
[M]+ 99.06786142 120.2
[M]- 99.06895858 120.2
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