CID 3066543

1-pyrrolebutyramide, n-tert-butyl-2,5-dimethyl-

Structural Information

Molecular Formula
C14H24N2O
SMILES
CC1=CC=C(N1CCCC(=O)NC(C)(C)C)C
InChI
InChI=1S/C14H24N2O/c1-11-8-9-12(2)16(11)10-6-7-13(17)15-14(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,15,17)
InChIKey
WZIAFZVCSGBPJQ-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.18886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 159.7
[M+Na]+ 259.178078 166.4
[M-H]- 235.181584 162.0
[M+NH4]+ 254.222683 178.4
[M+K]+ 275.152018 164.2
[M+H-H2O]+ 219.186120 153.4
[M+HCOO]- 281.187061 180.9
[M+CH3COO]- 295.202711 197.2
[M+Na-2H]- 257.163526 161.4
[M]+ 236.18831142 162.1
[M]- 236.18940858 162.1
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.