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]+ 228.12303 154.9
[M+Na]+ 250.10497 157.8
[M-H]- 226.10847 159.7
[M+NH4]+ 245.14957 168.2
[M+K]+ 266.07891 163.3
[M+H-H2O]+ 210.11301 146.4
[M+HCOO]- 272.11395 168.0
[M+CH3COO]- 286.12960 201.7
[M+Na-2H]- 248.09042 162.2
[M]+ 227.11520 176.4
[M]- 227.11630 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.