CID 10103164

5-amino-1-methyl-1h-pyrrole-3-carbonitrile

Structural Information

Molecular Formula
C6H7N3
SMILES
CN1C=C(C=C1N)C#N
InChI
InChI=1S/C6H7N3/c1-9-4-5(3-7)2-6(9)8/h2,4H,8H2,1H3
InChIKey
OAZQYILEWTZDER-UHFFFAOYSA-N
Compound name
5-amino-1-methylpyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

121.063995 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.071271 123.4
[M+Na]+ 144.053213 134.4
[M-H]- 120.056719 125.3
[M+NH4]+ 139.097818 143.6
[M+K]+ 160.027153 132.3
[M+H-H2O]+ 104.061255 110.6
[M+HCOO]- 166.062196 144.7
[M+CH3COO]- 180.077846 185.8
[M+Na-2H]- 142.038661 128.4
[M]+ 121.06344642 117.3
[M]- 121.06454358 117.3
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

patents stripe