CID 119406

Arvelexin

Structural Information

Molecular Formula
C11H10N2O
SMILES
COC1=CC=CC2=C1C(=CN2)CC#N
InChI
InChI=1S/C11H10N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5H2,1H3
InChIKey
DHOVDDVYXBMXDM-UHFFFAOYSA-N
Compound name
2-(4-methoxy-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

28
Patents

186.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 141.1
[M+Na]+ 209.068538 153.5
[M-H]- 185.072044 142.8
[M+NH4]+ 204.113143 160.0
[M+K]+ 225.042478 147.8
[M+H-H2O]+ 169.076580 128.3
[M+HCOO]- 231.077521 160.8
[M+CH3COO]- 245.093171 153.3
[M+Na-2H]- 207.053986 147.2
[M]+ 186.07877142 138.0
[M]- 186.07986858 138.0
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