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 159.7
[M+Na]+ 259.17808 166.4
[M-H]- 235.18158 162.0
[M+NH4]+ 254.22268 178.4
[M+K]+ 275.15202 164.2
[M+H-H2O]+ 219.18612 153.4
[M+HCOO]- 281.18706 180.9
[M+CH3COO]- 295.20271 197.2
[M+Na-2H]- 257.16353 161.4
[M]+ 236.18831 162.1
[M]- 236.18941 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.