CID 20434699

Isothiocyanatocyclobutane

Structural Information

Molecular Formula
C5H7NS
SMILES
C1CC(C1)N=C=S
InChI
InChI=1S/C5H7NS/c7-4-6-5-2-1-3-5/h5H,1-3H2
InChIKey
TYBYIZTZTUDQCB-UHFFFAOYSA-N
Compound name
isothiocyanatocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

113.02992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03720 117.7
[M+Na]+ 136.01914 123.6
[M+NH4]+ 131.06374 123.4
[M+K]+ 151.99308 117.7
[M-H]- 112.02264 117.6
[M+Na-2H]- 134.00459 121.0
[M]+ 113.02937 117.6
[M]- 113.03047 117.6
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