CID 91812

56341-36-7

Structural Information

Molecular Formula
C7H8N2
SMILES
CC1=CC=C(N1C)C#N
InChI
InChI=1S/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3
InChIKey
DRXOPQFEWDRGKT-UHFFFAOYSA-N
Compound name
1,5-dimethylpyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

120.06875 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.07603 121.6
[M+Na]+ 143.05797 133.3
[M-H]- 119.06147 124.1
[M+NH4]+ 138.10257 142.6
[M+K]+ 159.03191 131.2
[M+H-H2O]+ 103.06601 109.2
[M+HCOO]- 165.06695 142.5
[M+CH3COO]- 179.08260 184.8
[M+Na-2H]- 141.04342 127.1
[M]+ 120.06820 117.6
[M]- 120.06930 117.6
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