CID 28298

17124-75-3

Structural Information

Molecular Formula
C9H19N3S
SMILES
CCN(CC)CCSC1=NCCN1
InChI
InChI=1S/C9H19N3S/c1-3-12(4-2)7-8-13-9-10-5-6-11-9/h3-8H2,1-2H3,(H,10,11)
InChIKey
UDAYLABGJCKNED-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.12997 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13725 146.6
[M+Na]+ 224.11919 152.4
[M-H]- 200.12269 147.1
[M+NH4]+ 219.16379 165.3
[M+K]+ 240.09313 150.5
[M+H-H2O]+ 184.12723 139.0
[M+HCOO]- 246.12817 162.7
[M+CH3COO]- 260.14382 186.0
[M+Na-2H]- 222.10464 147.2
[M]+ 201.12942 147.7
[M]- 201.13052 147.7
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.