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]+ 150.10257 134.5
[M+Na]+ 172.08451 142.5
[M-H]- 148.08801 136.0
[M+NH4]+ 167.12911 153.2
[M+K]+ 188.05845 141.0
[M+H-H2O]+ 132.09255 120.7
[M+HCOO]- 194.09349 153.9
[M+CH3COO]- 208.10914 191.3
[M+Na-2H]- 170.06996 138.2
[M]+ 149.09474 128.0
[M]- 149.09584 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.