CID 2778791

N-(2-aminoethyl)maleimide hydrochloride

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1=CC(=O)N(C1=O)CCN
InChI
InChI=1S/C6H8N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2H,3-4,7H2
InChIKey
ODVRLSOMTXGTMX-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2588
Patents

140.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 125.7
[M+Na]+ 163.04780 134.7
[M-H]- 139.05130 128.0
[M+NH4]+ 158.09240 147.5
[M+K]+ 179.02174 133.3
[M+H-H2O]+ 123.05584 119.8
[M+HCOO]- 185.05678 150.4
[M+CH3COO]- 199.07243 174.0
[M+Na-2H]- 161.03325 130.1
[M]+ 140.05803 124.7
[M]- 140.05913 124.7
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