CID 111692

68892-06-8

Structural Information

Molecular Formula
C5H9NO3
SMILES
CN(CC(=O)OC)C=O
InChI
InChI=1S/C5H9NO3/c1-6(4-7)3-5(8)9-2/h4H,3H2,1-2H3
InChIKey
YPHUWLXQOBCRNQ-UHFFFAOYSA-N
Compound name
methyl 2-[formyl(methyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

131.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 124.1
[M+Na]+ 154.04746 131.5
[M-H]- 130.05096 126.2
[M+NH4]+ 149.09206 146.5
[M+K]+ 170.02140 133.5
[M+H-H2O]+ 114.05550 119.1
[M+HCOO]- 176.05644 150.0
[M+CH3COO]- 190.07209 176.8
[M+Na-2H]- 152.03291 130.1
[M]+ 131.05769 127.8
[M]- 131.05879 127.8
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