CID 64538822

5-cyclopropyl-1,2,4-thiadiazol-3-amine

Structural Information

Molecular Formula
C5H7N3S
SMILES
C1CC1C2=NC(=NS2)N
InChI
InChI=1S/C5H7N3S/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey
RTIQQISXSFOOIK-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

141.03607 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.043346 125.1
[M+Na]+ 164.025288 136.6
[M-H]- 140.028794 130.3
[M+NH4]+ 159.069893 141.3
[M+K]+ 179.999228 132.9
[M+H-H2O]+ 124.033330 118.1
[M+HCOO]- 186.034271 145.0
[M+CH3COO]- 200.049921 139.0
[M+Na-2H]- 162.010736 128.5
[M]+ 141.03552142 127.2
[M]- 141.03661858 127.2
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