CID 82282140

2225147-02-2

Structural Information

Molecular Formula
C8H14N4S
SMILES
CC1=NN=C(S1)CN2CCNCC2
InChI
InChI=1S/C8H14N4S/c1-7-10-11-8(13-7)6-12-4-2-9-3-5-12/h9H,2-6H2,1H3
InChIKey
VKUUWJPZHIKMFH-UHFFFAOYSA-N
Compound name
2-methyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09392 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10120 143.1
[M+Na]+ 221.08314 150.7
[M-H]- 197.08664 142.9
[M+NH4]+ 216.12774 158.7
[M+K]+ 237.05708 147.1
[M+H-H2O]+ 181.09118 134.7
[M+HCOO]- 243.09212 154.4
[M+CH3COO]- 257.10777 153.9
[M+Na-2H]- 219.06859 143.8
[M]+ 198.09337 139.7
[M]- 198.09447 139.7
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.