CID 64139854

Methyl 2-amino-3-(oxan-3-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C9H17NO3
SMILES
COC(=O)C(CC1CCCOC1)N
InChI
InChI=1S/C9H17NO3/c1-12-9(11)8(10)5-7-3-2-4-13-6-7/h7-8H,2-6,10H2,1H3
InChIKey
DVVCDJXMGQMYPZ-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(oxan-3-yl)propanoate
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 143.5
[M+Na]+ 210.110068 146.8
[M-H]- 186.113574 146.1
[M+NH4]+ 205.154673 160.9
[M+K]+ 226.084008 147.9
[M+H-H2O]+ 170.118110 137.2
[M+HCOO]- 232.119051 162.1
[M+CH3COO]- 246.134701 182.9
[M+Na-2H]- 208.095516 146.4
[M]+ 187.12030142 140.2
[M]- 187.12139858 140.2
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.