CID 79002083

Ethyl 2-(4-aminooxan-4-yl)acetate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CCOC(=O)CC1(CCOCC1)N
InChI
InChI=1S/C9H17NO3/c1-2-13-8(11)7-9(10)3-5-12-6-4-9/h2-7,10H2,1H3
InChIKey
DWZYCNFJCACXKW-UHFFFAOYSA-N
Compound name
ethyl 2-(4-aminooxan-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

187.12085 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.3
[M+Na]+ 210.11007 146.7
[M-H]- 186.11357 145.2
[M+NH4]+ 205.15467 161.7
[M+K]+ 226.08401 147.6
[M+H-H2O]+ 170.11811 136.9
[M+HCOO]- 232.11905 161.8
[M+CH3COO]- 246.13470 181.6
[M+Na-2H]- 208.09552 147.7
[M]+ 187.12030 140.0
[M]- 187.12140 140.0
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