CID 3711866

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

Structural Information

Molecular Formula
C9H15N3S
SMILES
C1CCC(CC1)CC2=NN=C(S2)N
InChI
InChI=1S/C9H15N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)
InChIKey
QOSURVNXIZBWCK-UHFFFAOYSA-N
Compound name
5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.09866 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10594 142.0
[M+Na]+ 220.08788 148.5
[M-H]- 196.09138 145.2
[M+NH4]+ 215.13248 160.5
[M+K]+ 236.06182 145.3
[M+H-H2O]+ 180.09592 134.4
[M+HCOO]- 242.09686 157.4
[M+CH3COO]- 256.11251 153.7
[M+Na-2H]- 218.07333 142.7
[M]+ 197.09811 138.1
[M]- 197.09921 138.1
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