CID 93861

3-maleimidobenzoic acid n-hydroxysuccinimide ester

Structural Information

Molecular Formula
C15H10N2O6
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
InChI
InChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-5,8H,6-7H2
InChIKey
LLXVXPPXELIDGQ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

19489
Patents

314.0539 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06118 165.1
[M+Na]+ 337.04312 173.9
[M-H]- 313.04662 173.5
[M+NH4]+ 332.08772 180.0
[M+K]+ 353.01706 171.4
[M+H-H2O]+ 297.05116 157.4
[M+HCOO]- 359.05210 186.2
[M+CH3COO]- 373.06775 202.4
[M+Na-2H]- 335.02857 162.8
[M]+ 314.05335 166.7
[M]- 314.05445 166.7
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