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

9
Patents

141.03607 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04335 125.1
[M+Na]+ 164.02529 136.6
[M-H]- 140.02879 130.3
[M+NH4]+ 159.06989 141.3
[M+K]+ 179.99923 132.9
[M+H-H2O]+ 124.03333 118.1
[M+HCOO]- 186.03427 145.0
[M+CH3COO]- 200.04992 139.0
[M+Na-2H]- 162.01074 128.5
[M]+ 141.03552 127.2
[M]- 141.03662 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