CID 4381935

N-succinimidyl methylcarbamate

Structural Information

Molecular Formula
C6H8N2O4
SMILES
CNC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C6H8N2O4/c1-7-6(11)12-8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,7,11)
InChIKey
XMNGSPOWUCNRMO-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

546
Patents

172.0484 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.055676 131.8
[M+Na]+ 195.037618 139.7
[M-H]- 171.041124 134.4
[M+NH4]+ 190.082223 152.3
[M+K]+ 211.011558 139.8
[M+H-H2O]+ 155.045660 125.9
[M+HCOO]- 217.046601 155.3
[M+CH3COO]- 231.062251 178.0
[M+Na-2H]- 193.023066 135.3
[M]+ 172.04785142 131.8
[M]- 172.04894858 131.8
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