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

6
Patents

187.12085 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 142.3
[M+Na]+ 210.110068 146.7
[M-H]- 186.113574 145.2
[M+NH4]+ 205.154673 161.7
[M+K]+ 226.084008 147.6
[M+H-H2O]+ 170.118110 136.9
[M+HCOO]- 232.119051 161.8
[M+CH3COO]- 246.134701 181.6
[M+Na-2H]- 208.095516 147.7
[M]+ 187.12030142 140.0
[M]- 187.12139858 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