CID 459071

2,5-dimethyl-1-octadecylpyrrole

Structural Information

Molecular Formula
C24H45N
SMILES
CCCCCCCCCCCCCCCCCCN1C(=CC=C1C)C
InChI
InChI=1S/C24H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(2)20-21-24(25)3/h20-21H,4-19,22H2,1-3H3
InChIKey
SLRBXAUDEQGJCB-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-octadecylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

347.3552 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.36248 197.9
[M+Na]+ 370.34442 200.7
[M-H]- 346.34792 197.7
[M+NH4]+ 365.38902 212.3
[M+K]+ 386.31836 195.1
[M+H-H2O]+ 330.35246 189.2
[M+HCOO]- 392.35340 216.8
[M+CH3COO]- 406.36905 221.4
[M+Na-2H]- 368.32987 194.2
[M]+ 347.35465 205.3
[M]- 347.35575 205.3
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