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 155.4
[M+Na]+ 245.16244 161.8
[M-H]- 221.16594 157.7
[M+NH4]+ 240.20704 174.4
[M+K]+ 261.13638 159.9
[M+H-H2O]+ 205.17048 148.6
[M+HCOO]- 267.17142 177.5
[M+CH3COO]- 281.18707 195.4
[M+Na-2H]- 243.14789 155.6
[M]+ 222.17267 157.4
[M]- 222.17377 157.4
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.