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 126.0
[M+Na]+ 156.07836 137.6
[M-H]- 132.08186 127.2
[M+NH4]+ 151.12296 146.4
[M+K]+ 172.05230 134.1
[M+H-H2O]+ 116.08640 114.2
[M+HCOO]- 178.08734 144.2
[M+CH3COO]- 192.10299 183.6
[M+Na-2H]- 154.06381 130.0
[M]+ 133.08859 121.8
[M]- 133.08969 121.8
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.