CID 3066542

1-pyrrolebutyramide, 2,5-dimethyl-n-isopropyl-

Structural Information

Molecular Formula
C13H22N2O
SMILES
CC1=CC=C(N1CCCC(=O)NC(C)C)C
InChI
InChI=1S/C13H22N2O/c1-10(2)14-13(16)6-5-9-15-11(3)7-8-12(15)4/h7-8,10H,5-6,9H2,1-4H3,(H,14,16)
InChIKey
JIHNVNPSNUAORK-UHFFFAOYSA-N
Compound name
4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 155.3
[M+Na]+ 245.16244 164.5
[M+NH4]+ 240.20704 162.0
[M+K]+ 261.13638 160.8
[M-H]- 221.16594 155.8
[M+Na-2H]- 243.14789 158.5
[M]+ 222.17267 156.4
[M]- 222.17377 156.4
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.