CID 781

Thiocyanic acid

Structural Information

Molecular Formula

SMILES

C(#N)S

InChI

InChI=1S/CHNS/c2-1-3/h3H

InChIKey

ZMZDMBWJUHKJPS-UHFFFAOYSA-N

Compound name

thiocyanic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 3440
References: 129833
Patents: 58.98297 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	59.990246	102.9
[M+Na]+	81.972188	114.0
[M+NH4]+	77.016793	109.4
[M+K]+	97.946128	104.4
[M-H]-	57.975694	96.8
[M+Na-2H]-	79.957636	106.2
[M]+	58.982421	102.3
[M]-	58.983519	102.3

Literature stripe

literature stripe

Patent stripe

patents stripe