CID 45085953

5-(1-hydroxyethyl)thiophene-2-carbonitrile

Structural Information

Molecular Formula
C7H7NOS
SMILES
CC(C1=CC=C(S1)C#N)O
InChI
InChI=1S/C7H7NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3,5,9H,1H3
InChIKey
IGCHXOJQJCMNQS-UHFFFAOYSA-N
Compound name
5-(1-hydroxyethyl)thiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

153.02484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 126.4
[M+Na]+ 176.01406 136.5
[M+NH4]+ 171.05866 131.9
[M+K]+ 191.98800 128.6
[M-H]- 152.01756 120.5
[M+Na-2H]- 173.99951 129.0
[M]+ 153.02429 125.7
[M]- 153.02539 125.7
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

patents stripe