CID 43163673

1-cyclopropyl-5-methanesulfonyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C5H8N4O2S
SMILES
CS(=O)(=O)C1=NN=NN1C2CC2
InChI
InChI=1S/C5H8N4O2S/c1-12(10,11)5-6-7-8-9(5)4-2-3-4/h4H,2-3H2,1H3
InChIKey
RVPOYAYBQNVHNI-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-methylsulfonyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0368 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04408 148.7
[M+Na]+ 211.02602 161.5
[M-H]- 187.02952 151.8
[M+NH4]+ 206.07062 160.7
[M+K]+ 226.99996 157.4
[M+H-H2O]+ 171.03406 141.0
[M+HCOO]- 233.03500 164.6
[M+CH3COO]- 247.05065 180.4
[M+Na-2H]- 209.01147 151.5
[M]+ 188.03625 153.8
[M]- 188.03735 153.8
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.