CID 63315756

1461714-17-9

Structural Information

Molecular Formula
C6H12N4S
SMILES
CCSC1=NN=C(N1C)CN
InChI
InChI=1S/C6H12N4S/c1-3-11-6-9-8-5(4-7)10(6)2/h3-4,7H2,1-2H3
InChIKey
QZMUTAWUVWPSRF-UHFFFAOYSA-N
Compound name
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07826 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08554 135.2
[M+Na]+ 195.06748 145.6
[M-H]- 171.07098 135.3
[M+NH4]+ 190.11208 154.2
[M+K]+ 211.04142 142.9
[M+H-H2O]+ 155.07552 128.1
[M+HCOO]- 217.07646 152.8
[M+CH3COO]- 231.09211 180.8
[M+Na-2H]- 193.05293 136.8
[M]+ 172.07771 137.6
[M]- 172.07881 137.6
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.