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]+ 237.19614 159.3
[M+Na]+ 259.17808 168.4
[M+NH4]+ 254.22268 165.9
[M+K]+ 275.15202 164.9
[M-H]- 235.18158 159.5
[M+Na-2H]- 257.16353 162.6
[M]+ 236.18831 160.4
[M]- 236.18941 160.4
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.