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

7
Patents

121.063995 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 123.4
[M+Na]+ 144.05321 134.4
[M-H]- 120.05672 125.3
[M+NH4]+ 139.09782 143.6
[M+K]+ 160.02715 132.3
[M+H-H2O]+ 104.06126 110.6
[M+HCOO]- 166.06220 144.7
[M+CH3COO]- 180.07785 185.8
[M+Na-2H]- 142.03866 128.4
[M]+ 121.06345 117.3
[M]- 121.06454 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