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

22
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

literature stripe

Patent stripe

patents stripe