CID 22309151

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

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1COCC1C(C(=O)O)N
InChI
InChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)
InChIKey
HAKFKLNJIKJGET-UHFFFAOYSA-N
Compound name
2-amino-2-(oxolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

145.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 130.7
[M+Na]+ 168.063118 135.5
[M-H]- 144.066624 132.6
[M+NH4]+ 163.107723 150.7
[M+K]+ 184.037058 136.3
[M+H-H2O]+ 128.071160 125.4
[M+HCOO]- 190.072101 150.7
[M+CH3COO]- 204.087751 171.6
[M+Na-2H]- 166.048566 133.5
[M]+ 145.07335142 126.5
[M]- 145.07444858 126.5
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