CID 220928

[(4-hydroxy-3-methylphenyl)sulfanyl]formonitrile

Structural Information

Molecular Formula
C8H7NOS
SMILES
CC1=C(C=CC(=C1)SC#N)O
InChI
InChI=1S/C8H7NOS/c1-6-4-7(11-5-9)2-3-8(6)10/h2-4,10H,1H3
InChIKey
WEAMLHXSIBDPGN-UHFFFAOYSA-N
Compound name
(4-hydroxy-3-methylphenyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3746
Patents

165.02484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03212 135.8
[M+Na]+ 188.01406 147.4
[M-H]- 164.01756 139.4
[M+NH4]+ 183.05866 155.1
[M+K]+ 203.98800 144.1
[M+H-H2O]+ 148.02210 124.7
[M+HCOO]- 210.02304 151.0
[M+CH3COO]- 224.03869 187.9
[M+Na-2H]- 185.99951 139.2
[M]+ 165.02429 132.8
[M]- 165.02539 132.8
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