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

3148
Patents

209.14159 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 148.8
[M+Na]+ 232.130808 156.2
[M-H]- 208.134314 150.6
[M+NH4]+ 227.175413 168.4
[M+K]+ 248.104748 153.7
[M+H-H2O]+ 192.138850 142.3
[M+HCOO]- 254.139791 171.1
[M+CH3COO]- 268.155441 188.0
[M+Na-2H]- 230.116256 150.7
[M]+ 209.14104142 151.8
[M]- 209.14213858 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