CID 2771995

1171352-71-8

Structural Information

Molecular Formula
C11H15N3S
SMILES
CSCCC(C1=NC2=CC=CC=C2N1)N
InChI
InChI=1S/C11H15N3S/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)
InChIKey
WWNOVKZOKFLYAF-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

221.09866 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10594 147.0
[M+Na]+ 244.08788 156.1
[M-H]- 220.09138 147.7
[M+NH4]+ 239.13248 165.5
[M+K]+ 260.06182 151.1
[M+H-H2O]+ 204.09592 140.4
[M+HCOO]- 266.09686 163.4
[M+CH3COO]- 280.11251 159.0
[M+Na-2H]- 242.07333 150.0
[M]+ 221.09811 148.5
[M]- 221.09921 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.