CID 14246751

2-(dimethylamino)-2-(1h-pyrrol-2-yl)acetonitrile

Structural Information

Molecular Formula
C8H11N3
SMILES
CN(C)C(C#N)C1=CC=CN1
InChI
InChI=1S/C8H11N3/c1-11(2)8(6-9)7-4-3-5-10-7/h3-5,8,10H,1-2H3
InChIKey
WKQHSDZQLQQWFH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.09529 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 134.5
[M+Na]+ 172.084508 142.5
[M-H]- 148.088014 136.0
[M+NH4]+ 167.129113 153.2
[M+K]+ 188.058448 141.0
[M+H-H2O]+ 132.092550 120.7
[M+HCOO]- 194.093491 153.9
[M+CH3COO]- 208.109141 191.3
[M+Na-2H]- 170.069956 138.2
[M]+ 149.09474142 128.0
[M]- 149.09583858 128.0
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.