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]+ 211.12297 148.5
[M+Na]+ 233.10491 160.0
[M-H]- 209.10841 153.0
[M+NH4]+ 228.14951 166.1
[M+K]+ 249.07885 154.3
[M+H-H2O]+ 193.11295 134.5
[M+HCOO]- 255.11389 168.5
[M+CH3COO]- 269.12954 200.6
[M+Na-2H]- 231.09036 151.5
[M]+ 210.11514 144.6
[M]- 210.11624 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.