CID 57448160

900175-91-9

Structural Information

Molecular Formula
C10H9NS
SMILES
C1CC1SC2=CC=CC=C2C#N
InChI
InChI=1S/C10H9NS/c11-7-8-3-1-2-4-10(8)12-9-5-6-9/h1-4,9H,5-6H2
InChIKey
BZRNJICUEGURSO-UHFFFAOYSA-N
Compound name
2-cyclopropylsulfanylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

175.04558 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.052856 132.6
[M+Na]+ 198.034798 148.9
[M-H]- 174.038304 141.9
[M+NH4]+ 193.079403 149.2
[M+K]+ 214.008738 142.1
[M+H-H2O]+ 158.042840 122.9
[M+HCOO]- 220.043781 151.0
[M+CH3COO]- 234.059431 146.9
[M+Na-2H]- 196.020246 138.7
[M]+ 175.04503142 133.1
[M]- 175.04612858 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