CID 207031

Carbamic acid, (2-(diethylaminoethyl)ethyl)dithio-

Structural Information

Molecular Formula
C9H20N2S2
SMILES
CCN(CC)CCN(CC)C(=S)S
InChI
InChI=1S/C9H20N2S2/c1-4-10(5-2)7-8-11(6-3)9(12)13/h4-8H2,1-3H3,(H,12,13)
InChIKey
ZOKTYMFJIUHLPC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl-ethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11408 150.1
[M+Na]+ 243.09602 154.4
[M-H]- 219.09952 152.3
[M+NH4]+ 238.14062 169.6
[M+K]+ 259.06996 152.8
[M+H-H2O]+ 203.10406 142.9
[M+HCOO]- 265.10500 162.8
[M+CH3COO]- 279.12065 200.5
[M+Na-2H]- 241.08147 148.1
[M]+ 220.10625 154.4
[M]- 220.10735 154.4
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

patents stripe