CID 3161286

N,5-dimethyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C4H7N3S
SMILES
CC1=NN=C(S1)NC
InChI
InChI=1S/C4H7N3S/c1-3-6-7-4(5-2)8-3/h1-2H3,(H,5,7)
InChIKey
VJRHHVGPZXCQSS-UHFFFAOYSA-N
Compound name
N,5-dimethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

129.03607 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 122.0
[M+Na]+ 152.025288 132.2
[M-H]- 128.028794 124.0
[M+NH4]+ 147.069893 144.0
[M+K]+ 167.999228 130.7
[M+H-H2O]+ 112.033330 115.6
[M+HCOO]- 174.034271 142.1
[M+CH3COO]- 188.049921 171.5
[M+Na-2H]- 150.010736 126.4
[M]+ 129.03552142 123.7
[M]- 129.03661858 123.7
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