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

literature stripe

Patent stripe

patents stripe