CID 61862457

3-isothiocyanato-n,n-dimethylpropanamide

Structural Information

Molecular Formula
C6H10N2OS
SMILES
CN(C)C(=O)CCN=C=S
InChI
InChI=1S/C6H10N2OS/c1-8(2)6(9)3-4-7-5-10/h3-4H2,1-2H3
InChIKey
ZWWKEVYFKUZQLH-UHFFFAOYSA-N
Compound name
3-isothiocyanato-N,N-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05139 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05867 133.1
[M+Na]+ 181.04061 139.8
[M-H]- 157.04411 136.4
[M+NH4]+ 176.08521 155.1
[M+K]+ 197.01455 139.6
[M+H-H2O]+ 141.04865 127.0
[M+HCOO]- 203.04959 154.9
[M+CH3COO]- 217.06524 185.5
[M+Na-2H]- 179.02606 135.7
[M]+ 158.05084 136.4
[M]- 158.05194 136.4
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.