CID 8005205

2-(2,5-dimethyl-1-phenyl-1h-pyrrol-3-yl)acetonitrile

Structural Information

Molecular Formula
C14H14N2
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)CC#N
InChI
InChI=1S/C14H14N2/c1-11-10-13(8-9-15)12(2)16(11)14-6-4-3-5-7-14/h3-7,10H,8H2,1-2H3
InChIKey
SWDMDUBGKMTRLK-UHFFFAOYSA-N
Compound name
2-(2,5-dimethyl-1-phenylpyrrol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11569 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.122966 148.5
[M+Na]+ 233.104908 160.0
[M-H]- 209.108414 153.0
[M+NH4]+ 228.149513 166.1
[M+K]+ 249.078848 154.3
[M+H-H2O]+ 193.112950 134.5
[M+HCOO]- 255.113891 168.5
[M+CH3COO]- 269.129541 200.6
[M+Na-2H]- 231.090356 151.5
[M]+ 210.11514142 144.6
[M]- 210.11623858 144.6
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.