CID 717021

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

Structural Information

Molecular Formula
C5H7N3S
SMILES
C1CC1C2=NN=C(S2)N
InChI
InChI=1S/C5H7N3S/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey
AVLUMBXGKFNNAS-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

418
Patents

141.03607 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe