CID 3074725

2-((5-ethyl-1,3,4-thiadiazol-2-yl)amino)-1-cyclohexene-1-carboxylic acid

Structural Information

Molecular Formula
C11H15N3O2S
SMILES
CCC1=NN=C(S1)NC2=C(CCCC2)C(=O)O
InChI
InChI=1S/C11H15N3O2S/c1-2-9-13-14-11(17-9)12-8-6-4-3-5-7(8)10(15)16/h2-6H2,1H3,(H,12,14)(H,15,16)
InChIKey
OYZBLWMRPCJWPL-UHFFFAOYSA-N
Compound name
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]cyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09578 155.6
[M+Na]+ 276.07772 162.2
[M-H]- 252.08122 158.4
[M+NH4]+ 271.12232 171.3
[M+K]+ 292.05166 158.5
[M+H-H2O]+ 236.08576 148.0
[M+HCOO]- 298.08670 170.4
[M+CH3COO]- 312.10235 191.5
[M+Na-2H]- 274.06317 155.4
[M]+ 253.08795 154.7
[M]- 253.08905 154.7
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.