CID 42629247

60168-81-2

Structural Information

Molecular Formula
C4H9NO4
SMILES
C(C(O)O)OC(=O)CN
InChI
InChI=1S/C4H9NO4/c5-1-4(8)9-2-3(6)7/h3,6-7H,1-2,5H2
InChIKey
BHSPAXISBGUYLI-UHFFFAOYSA-N
Compound name
2,2-dihydroxyethyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1362
Patents

135.05316 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.06044 126.4
[M+Na]+ 158.04238 132.4
[M-H]- 134.04588 123.6
[M+NH4]+ 153.08698 146.0
[M+K]+ 174.01632 132.7
[M+H-H2O]+ 118.05042 121.6
[M+HCOO]- 180.05136 147.3
[M+CH3COO]- 194.06701 168.4
[M+Na-2H]- 156.02783 129.9
[M]+ 135.05261 124.8
[M]- 135.05371 124.8
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