CID 19108613

2445791-29-5

Structural Information

Molecular Formula
C7H10N2O3
SMILES
C1=C(ON=C1CCC(=O)O)CN
InChI
InChI=1S/C7H10N2O3/c8-4-6-3-5(9-12-6)1-2-7(10)11/h3H,1-2,4,8H2,(H,10,11)
InChIKey
IJLZDSHZAXWWRU-UHFFFAOYSA-N
Compound name
3-[5-(aminomethyl)-1,2-oxazol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

170.06914 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 134.6
[M+Na]+ 193.058358 142.2
[M-H]- 169.061864 136.0
[M+NH4]+ 188.102963 152.9
[M+K]+ 209.032298 141.8
[M+H-H2O]+ 153.066400 128.3
[M+HCOO]- 215.067341 157.0
[M+CH3COO]- 229.082991 176.8
[M+Na-2H]- 191.043806 139.3
[M]+ 170.06859142 135.2
[M]- 170.06968858 135.2
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