CID 17603749

5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C9H15N3S
SMILES
CC1(CCCCC1)C2=NN=C(S2)N
InChI
InChI=1S/C9H15N3S/c1-9(5-3-2-4-6-9)7-11-12-8(10)13-7/h2-6H2,1H3,(H2,10,12)
InChIKey
VFBWPYIGNOTWEX-UHFFFAOYSA-N
Compound name
5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

197.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10594 141.3
[M+Na]+ 220.08788 148.7
[M-H]- 196.09138 144.8
[M+NH4]+ 215.13248 161.8
[M+K]+ 236.06182 145.7
[M+H-H2O]+ 180.09592 134.4
[M+HCOO]- 242.09686 156.7
[M+CH3COO]- 256.11251 153.4
[M+Na-2H]- 218.07333 143.4
[M]+ 197.09811 137.7
[M]- 197.09921 137.7
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

patents stripe