CID 781

Thiocyanic acid

Structural Information

Molecular Formula
CHNS
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
11
Annotation Hits

3443
References

130098
Patents

58.98297 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 59.990246 106.1
[M+Na]+ 81.972188 117.4
[M-H]- 57.975694 108.7
[M+NH4]+ 77.016793 129.4
[M+K]+ 97.946128 117.8
[M+H-H2O]+ 41.980230 96.1
[M+HCOO]- 103.98117 122.9
[M+CH3COO]- 117.99682 172.7
[M+Na-2H]- 79.957636 112.2
[M]+ 58.982421 103.0
[M]- 58.983519 103.0
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