CID 458487

N-(2-hydroxyethyl)maleimide

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1=CC(=O)N(C1=O)CCO
InChI
InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,8H,3-4H2
InChIKey
AXTADRUCVAUCRS-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3762
Patents

141.04259 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 124.8
[M+Na]+ 164.03181 134.2
[M-H]- 140.03531 126.2
[M+NH4]+ 159.07641 146.4
[M+K]+ 180.00575 132.8
[M+H-H2O]+ 124.03985 119.5
[M+HCOO]- 186.04079 147.8
[M+CH3COO]- 200.05644 169.3
[M+Na-2H]- 162.01726 129.5
[M]+ 141.04204 125.1
[M]- 141.04314 125.1
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

patents stripe