CID 62387192

3-amino-2-[(oxan-4-yl)methyl]propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO3
SMILES
C1COCCC1CC(CN)C(=O)O
InChI
InChI=1S/C9H17NO3/c10-6-8(9(11)12)5-7-1-3-13-4-2-7/h7-8H,1-6,10H2,(H,11,12)
InChIKey
MFSGRTBIYFKOKF-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.12085 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 143.9
[M+Na]+ 210.11007 146.6
[M-H]- 186.11357 145.0
[M+NH4]+ 205.15467 160.3
[M+K]+ 226.08401 146.7
[M+H-H2O]+ 170.11811 137.7
[M+HCOO]- 232.11905 160.8
[M+CH3COO]- 246.13470 181.1
[M+Na-2H]- 208.09552 146.2
[M]+ 187.12030 138.7
[M]- 187.12140 138.7
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

patents stripe