CID 66228720

1521477-85-9

Structural Information

Molecular Formula
C9H17N3S
SMILES
CCC(CSCC1=NC=CN1C)N
InChI
InChI=1S/C9H17N3S/c1-3-8(10)6-13-7-9-11-4-5-12(9)2/h4-5,8H,3,6-7,10H2,1-2H3
InChIKey
XLDKGALGGSHVKN-UHFFFAOYSA-N
Compound name
1-[(1-methylimidazol-2-yl)methylsulfanyl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11432 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12160 145.6
[M+Na]+ 222.10354 154.9
[M+NH4]+ 217.14814 153.3
[M+K]+ 238.07748 149.1
[M-H]- 198.10704 146.4
[M+Na-2H]- 220.08899 149.1
[M]+ 199.11377 147.3
[M]- 199.11487 147.3
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.