CID 131628584

Ethyl 4-amino-2-methyloxane-2-carboxylate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CCOC(=O)C1(CC(CCO1)N)C
InChI
InChI=1S/C9H17NO3/c1-3-12-8(11)9(2)6-7(10)4-5-13-9/h7H,3-6,10H2,1-2H3
InChIKey
WIIBTARPPGHYPL-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-methyloxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.0
[M+Na]+ 210.11007 150.8
[M+NH4]+ 205.15467 150.6
[M+K]+ 226.08401 145.0
[M-H]- 186.11357 144.2
[M+Na-2H]- 208.09552 146.3
[M]+ 187.12030 143.7
[M]- 187.12140 143.7
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.