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

55
Patents

151.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.4
[M+Na]+ 174.08894 141.2
[M-H]- 150.09244 133.3
[M+NH4]+ 169.13354 153.3
[M+K]+ 190.06288 138.9
[M+H-H2O]+ 134.09698 126.4
[M+HCOO]- 196.09792 153.3
[M+CH3COO]- 210.11357 176.8
[M+Na-2H]- 172.07439 133.6
[M]+ 151.09917 131.9
[M]- 151.10027 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