CID 115773

64048-04-0

Structural Information

Molecular Formula
C7H12N2O2S
SMILES
CC(CSC#N)OC(=O)N(C)C
InChI
InChI=1S/C7H12N2O2S/c1-6(4-12-5-8)11-7(10)9(2)3/h6H,4H2,1-3H3
InChIKey
KAZRKOULDJEIRZ-UHFFFAOYSA-N
Compound name
1-thiocyanatopropan-2-yl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06195 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06923 137.3
[M+Na]+ 211.05117 144.9
[M+NH4]+ 206.09577 141.1
[M+K]+ 227.02511 136.9
[M-H]- 187.05467 129.8
[M+Na-2H]- 209.03662 137.6
[M]+ 188.06140 135.5
[M]- 188.06250 135.5
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

No patent data available for this compound.