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 143.1
[M+Na]+ 211.05117 150.7
[M-H]- 187.05467 145.6
[M+NH4]+ 206.09577 161.7
[M+K]+ 227.02511 152.0
[M+H-H2O]+ 171.05921 130.8
[M+HCOO]- 233.06015 157.9
[M+CH3COO]- 247.07580 198.6
[M+Na-2H]- 209.03662 143.7
[M]+ 188.06140 142.6
[M]- 188.06250 142.6
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

No patent data available for this compound.