CID 138012134

2241140-50-9

Structural Information

Molecular Formula
C11H17NO4
SMILES
C1COCCC12C3(CC(C3)(O2)CN)C(=O)O
InChI
InChI=1S/C11H17NO4/c12-7-9-5-10(6-9,8(13)14)11(16-9)1-3-15-4-2-11/h1-7,12H2,(H,13,14)
InChIKey
BTWTZTNJMZYGAE-UHFFFAOYSA-N
Compound name
1-(aminomethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,4'-oxane]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 151.7
[M+Na]+ 250.10497 155.5
[M-H]- 226.10847 154.4
[M+NH4]+ 245.14957 171.6
[M+K]+ 266.07891 158.0
[M+H-H2O]+ 210.11301 145.6
[M+HCOO]- 272.11395 163.4
[M+CH3COO]- 286.12960 162.4
[M+Na-2H]- 248.09042 159.7
[M]+ 227.11520 161.5
[M]- 227.11630 161.5
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.