CID 2306685

15777-49-8

Structural Information

Molecular Formula
C9H14ClN3OS
SMILES
CCCCCC1=NN=C(S1)NC(=O)CCl
InChI
InChI=1S/C9H14ClN3OS/c1-2-3-4-5-8-12-13-9(15-8)11-7(14)6-10/h2-6H2,1H3,(H,11,13,14)
InChIKey
RDVDUFOQEMNCNF-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05461 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06189 153.6
[M+Na]+ 270.04383 162.0
[M-H]- 246.04733 154.7
[M+NH4]+ 265.08843 171.4
[M+K]+ 286.01777 157.7
[M+H-H2O]+ 230.05187 146.8
[M+HCOO]- 292.05281 166.8
[M+CH3COO]- 306.06846 191.5
[M+Na-2H]- 268.02928 154.0
[M]+ 247.05406 158.7
[M]- 247.05516 158.7
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.