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 136.5
[M+Na]+ 176.01406 147.6
[M-H]- 152.01756 140.0
[M+NH4]+ 171.05866 157.5
[M+K]+ 191.98800 145.0
[M+H-H2O]+ 136.02210 125.3
[M+HCOO]- 198.02304 151.7
[M+CH3COO]- 212.03869 185.0
[M+Na-2H]- 173.99951 137.7
[M]+ 153.02429 133.1
[M]- 153.02539 133.1
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