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]+ 229.14815 153.1
[M+Na]+ 251.13009 161.3
[M-H]- 227.13359 152.6
[M+NH4]+ 246.17469 169.8
[M+K]+ 267.10403 158.2
[M+H-H2O]+ 211.13813 145.3
[M+HCOO]- 273.13907 168.4
[M+CH3COO]- 287.15472 193.6
[M+Na-2H]- 249.11554 151.7
[M]+ 228.14032 156.3
[M]- 228.14142 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.