CID 512829

Octyl maleimide

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCCCCCCCN1C(=O)C=CC1=O
InChI
InChI=1S/C12H19NO2/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(13)15/h8-9H,2-7,10H2,1H3
InChIKey
KIKBJYQCJJXCBZ-UHFFFAOYSA-N
Compound name
1-octylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3302
Patents

209.14159 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.8
[M+Na]+ 232.13081 156.2
[M-H]- 208.13431 150.6
[M+NH4]+ 227.17541 168.4
[M+K]+ 248.10475 153.7
[M+H-H2O]+ 192.13885 142.3
[M+HCOO]- 254.13979 171.1
[M+CH3COO]- 268.15544 188.0
[M+Na-2H]- 230.11626 150.7
[M]+ 209.14104 151.8
[M]- 209.14214 151.8
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

No patent data available for this compound.