CID 59591427

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

Structural Information

Molecular Formula
C11H11N3S
SMILES
C1CC1(C2=CC=CC=C2)C3=NN=C(S3)N
InChI
InChI=1S/C11H11N3S/c12-10-14-13-9(15-10)11(6-7-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14)
InChIKey
XGCRKKXNDQBJGR-UHFFFAOYSA-N
Compound name
5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

217.06737 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.074646 142.8
[M+Na]+ 240.056588 154.0
[M-H]- 216.060094 150.8
[M+NH4]+ 235.101193 157.7
[M+K]+ 256.030528 149.6
[M+H-H2O]+ 200.064630 135.8
[M+HCOO]- 262.065571 162.5
[M+CH3COO]- 276.081221 155.8
[M+Na-2H]- 238.042036 147.2
[M]+ 217.06682142 145.2
[M]- 217.06791858 145.2
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