CID 3034450

113221-74-2

Structural Information

Molecular Formula
C3H4N4O2S
SMILES
C(C(=O)O)N1C(=S)N=NN1
InChI
InChI=1S/C3H4N4O2S/c8-2(9)1-7-3(10)4-5-6-7/h1H2,(H,8,9)(H,4,6,10)
InChIKey
UOTQEHLQKASWQO-UHFFFAOYSA-N
Compound name
2-(5-sulfanylidene-2H-tetrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

863
Patents

160.0055 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01278 129.4
[M+Na]+ 182.99472 140.2
[M-H]- 158.99822 126.2
[M+NH4]+ 178.03932 146.0
[M+K]+ 198.96866 137.0
[M+H-H2O]+ 143.00276 122.7
[M+HCOO]- 205.00370 143.1
[M+CH3COO]- 219.01935 167.8
[M+Na-2H]- 180.98017 131.4
[M]+ 160.00495 129.6
[M]- 160.00605 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe