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

22
Patents

175.04558 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 132.6
[M+Na]+ 198.03480 148.9
[M-H]- 174.03830 141.9
[M+NH4]+ 193.07940 149.2
[M+K]+ 214.00874 142.1
[M+H-H2O]+ 158.04284 122.9
[M+HCOO]- 220.04378 151.0
[M+CH3COO]- 234.05943 146.9
[M+Na-2H]- 196.02025 138.7
[M]+ 175.04503 133.1
[M]- 175.04613 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