CID 112605768

1-{5-[(propan-2-yloxy)methyl]-1,3,4-thiadiazol-2-yl}ethan-1-amine

Structural Information

Molecular Formula
C8H15N3OS
SMILES
CC(C)OCC1=NN=C(S1)C(C)N
InChI
InChI=1S/C8H15N3OS/c1-5(2)12-4-7-10-11-8(13-7)6(3)9/h5-6H,4,9H2,1-3H3
InChIKey
JPEWEGAVMWPJRF-UHFFFAOYSA-N
Compound name
1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.100856 144.4
[M+Na]+ 224.082798 152.0
[M-H]- 200.086304 145.3
[M+NH4]+ 219.127403 163.0
[M+K]+ 240.056738 150.5
[M+H-H2O]+ 184.090840 137.3
[M+HCOO]- 246.091781 160.7
[M+CH3COO]- 260.107431 186.6
[M+Na-2H]- 222.068246 143.7
[M]+ 201.09303142 146.7
[M]- 201.09412858 146.7
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.