CID 16227376

923256-68-2

Structural Information

Molecular Formula
C6H8N4O2S
SMILES
C1CC1N2C(=NN=N2)SCC(=O)O
InChI
InChI=1S/C6H8N4O2S/c11-5(12)3-13-6-7-8-9-10(6)4-1-2-4/h4H,1-3H2,(H,11,12)
InChIKey
SDDBMYOSAUJBLI-UHFFFAOYSA-N
Compound name
2-(1-cyclopropyltetrazol-5-yl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.0368 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04408 146.6
[M+Na]+ 223.02602 158.0
[M+NH4]+ 218.07062 153.1
[M+K]+ 238.99996 155.1
[M-H]- 199.02952 152.4
[M+Na-2H]- 221.01147 152.5
[M]+ 200.03625 151.0
[M]- 200.03735 151.0
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.