CID 282359

(2,3,4,9-tetrahydro-1h-carbazol-3-yl)-acetonitrile

Structural Information

Molecular Formula
C14H14N2
SMILES
C1CC2=C(CC1CC#N)C3=CC=CC=C3N2
InChI
InChI=1S/C14H14N2/c15-8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)16-14/h1-4,10,16H,5-7,9H2
InChIKey
WCVKHIRZXGSZRF-UHFFFAOYSA-N
Compound name
2-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 149.9
[M+Na]+ 233.10491 161.2
[M-H]- 209.10841 151.5
[M+NH4]+ 228.14951 168.6
[M+K]+ 249.07885 152.2
[M+H-H2O]+ 193.11295 136.8
[M+HCOO]- 255.11389 165.7
[M+CH3COO]- 269.12954 160.6
[M+Na-2H]- 231.09036 155.2
[M]+ 210.11514 142.8
[M]- 210.11624 142.8
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

No patent data available for this compound.