CID 2374181

2-chloro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1h-pyrrol-3-yl]ethan-1-one

Structural Information

Molecular Formula
C11H16ClNO2
SMILES
CC1=CC(=C(N1CCOC)C)C(=O)CCl
InChI
InChI=1S/C11H16ClNO2/c1-8-6-10(11(14)7-12)9(2)13(8)4-5-15-3/h6H,4-5,7H2,1-3H3
InChIKey
JMJXKSAZKQXABB-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08696 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09424 149.8
[M+Na]+ 252.07618 159.7
[M-H]- 228.07968 152.4
[M+NH4]+ 247.12078 169.9
[M+K]+ 268.05012 156.3
[M+H-H2O]+ 212.08422 144.4
[M+HCOO]- 274.08516 168.1
[M+CH3COO]- 288.10081 191.3
[M+Na-2H]- 250.06163 150.8
[M]+ 229.08641 156.1
[M]- 229.08751 156.1
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.