CID 465081

Akos033925374

Structural Information

Molecular Formula
C11H14N4S
SMILES
CCCSC1=NN=NN1C2=CC=CC(=C2)C
InChI
InChI=1S/C11H14N4S/c1-3-7-16-11-12-13-14-15(11)10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3
InChIKey
JPWWPMFMLNLVGI-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-5-propylsulfanyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09392 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10120 151.1
[M+Na]+ 257.08314 162.0
[M-H]- 233.08664 153.4
[M+NH4]+ 252.12774 166.6
[M+K]+ 273.05708 157.4
[M+H-H2O]+ 217.09118 142.4
[M+HCOO]- 279.09212 167.2
[M+CH3COO]- 293.10777 163.3
[M+Na-2H]- 255.06859 153.0
[M]+ 234.09337 155.1
[M]- 234.09447 155.1
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.