CID 2756391

2-amino-3-cyano-4,5-dimethylpyrrole

Structural Information

Molecular Formula
C7H9N3
SMILES
CC1=C(NC(=C1C#N)N)C
InChI
InChI=1S/C7H9N3/c1-4-5(2)10-7(9)6(4)3-8/h10H,9H2,1-2H3
InChIKey
QZVLATXNNPVXEJ-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

135.07965 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 128.8
[M+Na]+ 158.06887 139.8
[M-H]- 134.07237 129.8
[M+NH4]+ 153.11347 148.2
[M+K]+ 174.04281 136.9
[M+H-H2O]+ 118.07691 116.5
[M+HCOO]- 180.07785 148.5
[M+CH3COO]- 194.09350 187.2
[M+Na-2H]- 156.05432 132.1
[M]+ 135.07910 121.7
[M]- 135.08020 121.7
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.