CID 134820067

Dehydro(indole-3-yl)acetonitrile

Structural Information

Molecular Formula
C10H6N2
SMILES
C1=CC=C2C(=C1)/C(=C/C#N)/C=N2
InChI
InChI=1S/C10H6N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-5,7H/b8-5+
InChIKey
POAVPLAOCHOOPK-VMPITWQZSA-N
Compound name
(2Z)-2-indol-3-ylideneacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

154.0531 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.060376 133.8
[M+Na]+ 177.042318 145.8
[M-H]- 153.045824 136.4
[M+NH4]+ 172.086923 154.1
[M+K]+ 193.016258 139.9
[M+H-H2O]+ 137.050360 120.8
[M+HCOO]- 199.051301 153.8
[M+CH3COO]- 213.066951 146.5
[M+Na-2H]- 175.027766 140.6
[M]+ 154.05255142 128.5
[M]- 154.05364858 128.5
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.