CID 4962617

1170140-53-0

Structural Information

Molecular Formula
C10H20N4S
SMILES
CC(C)CN1C(=NN=C1SC)CCCN
InChI
InChI=1S/C10H20N4S/c1-8(2)7-14-9(5-4-6-11)12-13-10(14)15-3/h8H,4-7,11H2,1-3H3
InChIKey
OZVVGHPOHUFVIR-UHFFFAOYSA-N
Compound name
3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.14087 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.148146 153.1
[M+Na]+ 251.130088 161.3
[M-H]- 227.133594 152.6
[M+NH4]+ 246.174693 169.8
[M+K]+ 267.104028 158.2
[M+H-H2O]+ 211.138130 145.3
[M+HCOO]- 273.139071 168.4
[M+CH3COO]- 287.154721 193.6
[M+Na-2H]- 249.115536 151.7
[M]+ 228.14032142 156.3
[M]- 228.14141858 156.3
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.