CID 130475907

2135785-62-3

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1C(CC12COC(=O)N2)C(=O)O
InChI
InChI=1S/C7H9NO4/c9-5(10)4-1-7(2-4)3-12-6(11)8-7/h4H,1-3H2,(H,8,11)(H,9,10)
InChIKey
IGXPOTLWCQJQJQ-UHFFFAOYSA-N
Compound name
6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

171.05316 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 129.7
[M+Na]+ 194.04238 135.2
[M-H]- 170.04588 132.1
[M+NH4]+ 189.08698 143.2
[M+K]+ 210.01632 137.7
[M+H-H2O]+ 154.05042 120.6
[M+HCOO]- 216.05136 145.9
[M+CH3COO]- 230.06701 174.0
[M+Na-2H]- 192.02783 134.2
[M]+ 171.05261 135.1
[M]- 171.05371 135.1
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