CID 137965728

2490400-46-7

Structural Information

Molecular Formula
C11H17NO4
SMILES
CCOC(=O)C12CC(C1)(OC23COC3)CN
InChI
InChI=1S/C11H17NO4/c1-2-15-8(13)10-3-9(4-10,5-12)16-11(10)6-14-7-11/h2-7,12H2,1H3
InChIKey
YIGCCHBAIRBOOD-UHFFFAOYSA-N
Compound name
ethyl 1-(aminomethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,3'-oxetane]-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 154.9
[M+Na]+ 250.104968 157.8
[M-H]- 226.108474 159.7
[M+NH4]+ 245.149573 168.2
[M+K]+ 266.078908 163.3
[M+H-H2O]+ 210.113010 146.4
[M+HCOO]- 272.113951 168.0
[M+CH3COO]- 286.129601 201.7
[M+Na-2H]- 248.090416 162.2
[M]+ 227.11520142 176.4
[M]- 227.11629858 176.4
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.