CID 54595246

2-amino-3-(oxolan-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1COCC1CC(C(=O)O)N
InChI
InChI=1S/C7H13NO3/c8-6(7(9)10)3-5-1-2-11-4-5/h5-6H,1-4,8H2,(H,9,10)
InChIKey
OTUZUAJROYEUAS-UHFFFAOYSA-N
Compound name
2-amino-3-(oxolan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

159.08954 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 135.4
[M+Na]+ 182.07876 139.8
[M-H]- 158.08226 137.1
[M+NH4]+ 177.12336 154.8
[M+K]+ 198.05270 140.3
[M+H-H2O]+ 142.08680 129.9
[M+HCOO]- 204.08774 155.1
[M+CH3COO]- 218.10339 174.7
[M+Na-2H]- 180.06421 137.6
[M]+ 159.08899 131.5
[M]- 159.09009 131.5
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

patents stripe