CID 219300

3-(9h-carbazol-9-yl)propanenitrile

Structural Information

Molecular Formula
C15H12N2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCC#N
InChI
InChI=1S/C15H12N2/c16-10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,11H2
InChIKey
YAGSRHMFASEGPG-UHFFFAOYSA-N
Compound name
3-carbazol-9-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

126
Patents

220.10005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.107326 152.9
[M+Na]+ 243.089268 166.0
[M-H]- 219.092774 156.0
[M+NH4]+ 238.133873 171.9
[M+K]+ 259.063208 157.2
[M+H-H2O]+ 203.097310 139.2
[M+HCOO]- 265.098251 172.2
[M+CH3COO]- 279.113901 164.7
[M+Na-2H]- 241.074716 159.7
[M]+ 220.09950142 150.2
[M]- 220.10059858 150.2
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