CID 637819

Cinnamyl thiocyanic acid

Structural Information

Molecular Formula
C10H9NS
SMILES
C1=CC=C(C=C1)/C=C/CSC#N
InChI
InChI=1S/C10H9NS/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7H,8H2/b7-4+
InChIKey
QPISXGBJSKHGGC-QPJJXVBHSA-N
Compound name
[(E)-3-phenylprop-2-enyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.04558 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 140.9
[M+Na]+ 198.03480 151.2
[M-H]- 174.03830 144.9
[M+NH4]+ 193.07940 160.0
[M+K]+ 214.00874 146.8
[M+H-H2O]+ 158.04284 128.9
[M+HCOO]- 220.04378 156.9
[M+CH3COO]- 234.05943 190.6
[M+Na-2H]- 196.02025 144.9
[M]+ 175.04503 137.6
[M]- 175.04613 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe