CID 11263766

2-(4-hydroxy-1h-indol-3-yl)acetonitrile

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC2=C(C(=C1)O)C(=CN2)CC#N
InChI
InChI=1S/C10H8N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4H2
InChIKey
RWBSUCOEZMIDSA-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

172.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 138.5
[M+Na]+ 195.052878 150.9
[M-H]- 171.056384 139.2
[M+NH4]+ 190.097483 157.2
[M+K]+ 211.026818 144.6
[M+H-H2O]+ 155.060920 126.1
[M+HCOO]- 217.061861 157.1
[M+CH3COO]- 231.077511 150.4
[M+Na-2H]- 193.038326 144.6
[M]+ 172.06311142 133.4
[M]- 172.06420858 133.4
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