CID 2452191

[2-(diethylamino)ethyl]thiourea

Structural Information

Molecular Formula
C7H17N3S
SMILES
CCN(CC)CCNC(=S)N
InChI
InChI=1S/C7H17N3S/c1-3-10(4-2)6-5-9-7(8)11/h3-6H2,1-2H3,(H3,8,9,11)
InChIKey
SEBCSPWHMFYMGA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.11432 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12160 140.6
[M+Na]+ 198.10354 144.9
[M-H]- 174.10704 141.4
[M+NH4]+ 193.14814 160.6
[M+K]+ 214.07748 143.8
[M+H-H2O]+ 158.11158 133.9
[M+HCOO]- 220.11252 160.2
[M+CH3COO]- 234.12817 190.7
[M+Na-2H]- 196.08899 141.5
[M]+ 175.11377 140.5
[M]- 175.11487 140.5
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