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]+ 134.096416 126.0
[M+Na]+ 156.078358 137.6
[M-H]- 132.081864 127.2
[M+NH4]+ 151.122963 146.4
[M+K]+ 172.052298 134.1
[M+H-H2O]+ 116.086400 114.2
[M+HCOO]- 178.087341 144.2
[M+CH3COO]- 192.102991 183.6
[M+Na-2H]- 154.063806 130.0
[M]+ 133.08859142 121.8
[M]- 133.08968858 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.