CID 29375

19005-95-9

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=C(NC(=C1C(=O)C)C)C
InChI
InChI=1S/C9H13NO/c1-5-6(2)10-7(3)9(5)8(4)11/h10H,1-4H3
InChIKey
XVBRWTVSTZYJIB-UHFFFAOYSA-N
Compound name
1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

151.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.4
[M+Na]+ 174.088938 141.2
[M-H]- 150.092444 133.3
[M+NH4]+ 169.133543 153.3
[M+K]+ 190.062878 138.9
[M+H-H2O]+ 134.096980 126.4
[M+HCOO]- 196.097921 153.3
[M+CH3COO]- 210.113571 176.8
[M+Na-2H]- 172.074386 133.6
[M]+ 151.09917142 131.9
[M]- 151.10026858 131.9
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

patents stripe