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

17
Patents

145.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 130.7
[M+Na]+ 168.06312 135.5
[M-H]- 144.06662 132.6
[M+NH4]+ 163.10772 150.7
[M+K]+ 184.03706 136.3
[M+H-H2O]+ 128.07116 125.4
[M+HCOO]- 190.07210 150.7
[M+CH3COO]- 204.08775 171.6
[M+Na-2H]- 166.04857 133.5
[M]+ 145.07335 126.5
[M]- 145.07445 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