CID 527525

1-(prop-2-en-1-yl)-1h-pyrrole

Structural Information

Molecular Formula
C7H9N
SMILES
C=CCN1C=CC=C1
InChI
InChI=1S/C7H9N/c1-2-5-8-6-3-4-7-8/h2-4,6-7H,1,5H2
InChIKey
JHFNJRVFKOQALR-UHFFFAOYSA-N
Compound name
1-prop-2-enylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2867
Patents

107.0735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 119.9
[M+Na]+ 130.06272 128.5
[M-H]- 106.06622 122.2
[M+NH4]+ 125.10732 143.4
[M+K]+ 146.03666 126.9
[M+H-H2O]+ 90.070760 114.1
[M+HCOO]- 152.07170 144.8
[M+CH3COO]- 166.08735 167.3
[M+Na-2H]- 128.04817 126.9
[M]+ 107.07295 119.6
[M]- 107.07405 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe