CID 22745

Usaf in-9

Structural Information

Molecular Formula
C9H20N3S
SMILES
C[N+](C)(C)CCCSC1=NCCN1
InChI
InChI=1S/C9H20N3S/c1-12(2,3)7-4-8-13-9-10-5-6-11-9/h4-8H2,1-3H3,(H,10,11)/q+1
InChIKey
ILMNGSKVQMXEKB-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13779 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14507 142.9
[M+Na]+ 225.12701 149.3
[M-H]- 201.13051 143.9
[M+NH4]+ 220.17161 161.8
[M+K]+ 241.10095 141.7
[M+H-H2O]+ 185.13505 138.8
[M+HCOO]- 247.13599 158.1
[M+CH3COO]- 261.15164 178.9
[M+Na-2H]- 223.11246 148.2
[M]+ 202.13724 142.1
[M]- 202.13834 142.1
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.