CID 15162

1500-91-0

Structural Information

Molecular Formula
C10H15NO
SMILES
CCC1=C(NC(=C1C)C(=O)C)C
InChI
InChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)11-7(9)3/h11H,5H2,1-4H3
InChIKey
SUAXMKRXTCGJJD-UHFFFAOYSA-N
Compound name
1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.11537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 137.7
[M+Na]+ 188.10459 149.0
[M+NH4]+ 183.14919 145.3
[M+K]+ 204.07853 145.3
[M-H]- 164.10809 137.9
[M+Na-2H]- 186.09004 141.6
[M]+ 165.11482 139.2
[M]- 165.11592 139.2
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.