CID 84777404

2-(4-methoxy-1-benzothiophen-5-yl)acetonitrile

Structural Information

Molecular Formula
C11H9NOS
SMILES
COC1=C(C=CC2=C1C=CS2)CC#N
InChI
InChI=1S/C11H9NOS/c1-13-11-8(4-6-12)2-3-10-9(11)5-7-14-10/h2-3,5,7H,4H2,1H3
InChIKey
HMOGZGQRWQATHB-UHFFFAOYSA-N
Compound name
2-(4-methoxy-1-benzothiophen-5-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 138.6
[M+Na]+ 226.02970 151.8
[M+NH4]+ 221.07430 145.2
[M+K]+ 242.00364 141.2
[M-H]- 202.03320 134.4
[M+Na-2H]- 224.01515 142.9
[M]+ 203.03993 139.0
[M]- 203.04103 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.