CID 134692108

Chebi:141413

Structural Information

Molecular Formula
C7H9NO4
SMILES
CN(/C=C\1/C[C@@H](OC1=O)O)C=O
InChI
InChI=1S/C7H9NO4/c1-8(4-9)3-5-2-6(10)12-7(5)11/h3-4,6,10H,2H2,1H3/b5-3-/t6-/m1/s1
InChIKey
CKZDQHXHGRMYBG-CWVDAHFDSA-N
Compound name
N-[(Z)-[(5R)-5-hydroxy-2-oxooxolan-3-ylidene]methyl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 132.6
[M+Na]+ 194.042378 140.1
[M-H]- 170.045884 137.0
[M+NH4]+ 189.086983 153.1
[M+K]+ 210.016318 140.7
[M+H-H2O]+ 154.050420 127.6
[M+HCOO]- 216.051361 156.1
[M+CH3COO]- 230.067011 179.1
[M+Na-2H]- 192.027826 136.6
[M]+ 171.05261142 133.1
[M]- 171.05370858 133.1
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

No patent data available for this compound.