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]+ 202.10086 144.4
[M+Na]+ 224.08280 152.0
[M-H]- 200.08630 145.3
[M+NH4]+ 219.12740 163.0
[M+K]+ 240.05674 150.5
[M+H-H2O]+ 184.09084 137.3
[M+HCOO]- 246.09178 160.7
[M+CH3COO]- 260.10743 186.6
[M+Na-2H]- 222.06825 143.7
[M]+ 201.09303 146.7
[M]- 201.09413 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.