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 144.9
[M+Na]+ 222.10354 152.6
[M-H]- 198.10704 145.6
[M+NH4]+ 217.14814 163.8
[M+K]+ 238.07748 149.9
[M+H-H2O]+ 182.11158 137.7
[M+HCOO]- 244.11252 161.8
[M+CH3COO]- 258.12817 186.7
[M+Na-2H]- 220.08899 144.8
[M]+ 199.11377 146.9
[M]- 199.11487 146.9
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.