CID 12229991

N-methyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C3H5N3S
SMILES
CNC1=NN=CS1
InChI
InChI=1S/C3H5N3S/c1-4-3-6-5-2-7-3/h2H,1H3,(H,4,6)
InChIKey
XORXZRQNXQSDQG-UHFFFAOYSA-N
Compound name
N-methyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

115.02042 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 117.5
[M+Na]+ 138.00964 127.3
[M-H]- 114.01314 119.3
[M+NH4]+ 133.05424 139.7
[M+K]+ 153.98358 126.1
[M+H-H2O]+ 98.017680 111.0
[M+HCOO]- 160.01862 138.0
[M+CH3COO]- 174.03427 167.4
[M+Na-2H]- 135.99509 123.1
[M]+ 115.01987 118.5
[M]- 115.02097 118.5
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