CID 99203

Thiocyanic acid, 2-(diethylamino)-2-oxoethyl ester

Structural Information

Molecular Formula
C7H12N2OS
SMILES
CCN(CC)C(=O)CSC#N
InChI
InChI=1S/C7H12N2OS/c1-3-9(4-2)7(10)5-11-6-8/h3-5H2,1-2H3
InChIKey
RMOLMHPLFIVJBX-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-2-oxoethyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.074306 139.1
[M+Na]+ 195.056248 147.1
[M-H]- 171.059754 141.7
[M+NH4]+ 190.100853 158.4
[M+K]+ 211.030188 147.5
[M+H-H2O]+ 155.064290 127.0
[M+HCOO]- 217.065231 154.7
[M+CH3COO]- 231.080881 196.7
[M+Na-2H]- 193.041696 140.8
[M]+ 172.06648142 138.0
[M]- 172.06757858 138.0
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.