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]+ 155.06038 133.8
[M+Na]+ 177.04232 145.8
[M-H]- 153.04582 136.4
[M+NH4]+ 172.08692 154.1
[M+K]+ 193.01626 139.9
[M+H-H2O]+ 137.05036 120.8
[M+HCOO]- 199.05130 153.8
[M+CH3COO]- 213.06695 146.5
[M+Na-2H]- 175.02777 140.6
[M]+ 154.05255 128.5
[M]- 154.05365 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.