CID 131628584

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

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]+ 188.128126 141.6
[M+Na]+ 210.110068 147.0
[M-H]- 186.113574 144.9
[M+NH4]+ 205.154673 161.4
[M+K]+ 226.084008 148.0
[M+H-H2O]+ 170.118110 136.6
[M+HCOO]- 232.119051 161.1
[M+CH3COO]- 246.134701 182.8
[M+Na-2H]- 208.095516 146.4
[M]+ 187.12030142 139.7
[M]- 187.12139858 139.7
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.