CID 21863

N-(2-furoyl)glycine

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=COC(=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChIKey
KSPQDMRTZZYQLM-UHFFFAOYSA-N
Compound name
2-(furan-2-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

615
Patents

169.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 133.0
[M+Na]+ 192.02672 139.6
[M-H]- 168.03022 136.0
[M+NH4]+ 187.07132 152.4
[M+K]+ 208.00066 140.1
[M+H-H2O]+ 152.03476 127.3
[M+HCOO]- 214.03570 156.7
[M+CH3COO]- 228.05135 175.1
[M+Na-2H]- 190.01217 138.2
[M]+ 169.03695 133.6
[M]- 169.03805 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe