CID 2095680

2-chloro-1-(1-cyclopropyl-2,5-dimethyl-1h-pyrrol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC1=CC(=C(N1C2CC2)C)C(=O)CCl
InChI
InChI=1S/C11H14ClNO/c1-7-5-10(11(14)6-12)8(2)13(7)9-3-4-9/h5,9H,3-4,6H2,1-2H3
InChIKey
VDOWBQXUDGEQHE-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 144.4
[M+Na]+ 234.06561 155.9
[M-H]- 210.06911 150.8
[M+NH4]+ 229.11021 160.2
[M+K]+ 250.03955 150.6
[M+H-H2O]+ 194.07365 138.4
[M+HCOO]- 256.07459 162.8
[M+CH3COO]- 270.09024 190.8
[M+Na-2H]- 232.05106 145.9
[M]+ 211.07584 150.1
[M]- 211.07694 150.1
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.