CID 33752720

1461706-99-9

Structural Information

Molecular Formula
C5H10N4S
SMILES
CN1C(=NN=C1SC)CN
InChI
InChI=1S/C5H10N4S/c1-9-4(3-6)7-8-5(9)10-2/h3,6H2,1-2H3
InChIKey
YZCPJPQTEZINTH-UHFFFAOYSA-N
Compound name
(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06262 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06990 130.9
[M+Na]+ 181.05184 141.7
[M-H]- 157.05534 131.2
[M+NH4]+ 176.09644 150.5
[M+K]+ 197.02578 139.3
[M+H-H2O]+ 141.05988 124.0
[M+HCOO]- 203.06082 148.8
[M+CH3COO]- 217.07647 177.8
[M+Na-2H]- 179.03729 133.0
[M]+ 158.06207 132.9
[M]- 158.06317 132.9
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

No patent data available for this compound.