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]+ 173.07431 139.1
[M+Na]+ 195.05625 147.1
[M-H]- 171.05975 141.7
[M+NH4]+ 190.10085 158.4
[M+K]+ 211.03019 147.5
[M+H-H2O]+ 155.06429 127.0
[M+HCOO]- 217.06523 154.7
[M+CH3COO]- 231.08088 196.7
[M+Na-2H]- 193.04170 140.8
[M]+ 172.06648 138.0
[M]- 172.06758 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.