CID 12894288

2,5-dimethyl-1-(prop-2-yn-1-yl)-1h-pyrrole

Structural Information

Molecular Formula
C9H11N
SMILES
CC1=CC=C(N1CC#C)C
InChI
InChI=1S/C9H11N/c1-4-7-10-8(2)5-6-9(10)3/h1,5-6H,7H2,2-3H3
InChIKey
AJIBIWLTIDNRGY-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-prop-2-ynylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.08914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 126.5
[M+Na]+ 156.07836 138.8
[M+NH4]+ 151.12296 131.8
[M+K]+ 172.05230 130.9
[M-H]- 132.08186 120.0
[M+Na-2H]- 154.06381 129.8
[M]+ 133.08859 125.6
[M]- 133.08969 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.