CID 82598575

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

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1COCCC1C(CN)C(=O)O
InChI
InChI=1S/C8H15NO3/c9-5-7(8(10)11)6-1-3-12-4-2-6/h6-7H,1-5,9H2,(H,10,11)
InChIKey
FAUKUPABWCXQGO-UHFFFAOYSA-N
Compound name
3-amino-2-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.1052 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 139.3
[M+Na]+ 196.09442 142.4
[M-H]- 172.09792 140.6
[M+NH4]+ 191.13902 156.3
[M+K]+ 212.06836 142.8
[M+H-H2O]+ 156.10246 133.3
[M+HCOO]- 218.10340 156.5
[M+CH3COO]- 232.11905 178.1
[M+Na-2H]- 194.07987 142.1
[M]+ 173.10465 133.8
[M]- 173.10575 133.8
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