CID 50988553

Methyl 3-amino-2-(oxan-4-ylmethyl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H19NO3
SMILES
COC(=O)C(CC1CCOCC1)CN
InChI
InChI=1S/C10H19NO3/c1-13-10(12)9(7-11)6-8-2-4-14-5-3-8/h8-9H,2-7,11H2,1H3
InChIKey
ZXXCXXABLSJKJM-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-3-(oxan-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13649 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 147.3
[M+Na]+ 224.12571 155.0
[M+NH4]+ 219.17031 154.1
[M+K]+ 240.09965 151.3
[M-H]- 200.12921 149.2
[M+Na-2H]- 222.11116 149.5
[M]+ 201.13594 148.5
[M]- 201.13704 148.5
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.