CID 2735009

N,n'-diethylthiourea

Structural Information

Molecular Formula
C5H12N2S
SMILES
CCNC(=S)NCC
InChI
InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKey
FLVIGYVXZHLUHP-UHFFFAOYSA-N
Compound name
1,3-diethylthiourea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

10667
Patents

132.07211 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07939 127.7
[M+Na]+ 155.06133 133.8
[M-H]- 131.06483 128.2
[M+NH4]+ 150.10593 149.7
[M+K]+ 171.03527 132.3
[M+H-H2O]+ 115.06937 122.3
[M+HCOO]- 177.07031 147.2
[M+CH3COO]- 191.08596 176.2
[M+Na-2H]- 153.04678 131.0
[M]+ 132.07156 127.4
[M]- 132.07266 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe