CID 468686

(2-amino-1,3,4-thiadiazol-4-yl)acetic acid, hydrazide

Structural Information

Molecular Formula
C4H8N5OS
SMILES
C1=[N+](N=C(S1)N)CC(=O)NN
InChI
InChI=1S/C4H7N5OS/c5-4-8-9(2-11-4)1-3(10)7-6/h2H,1,6H2,(H2-,5,7,8,10)/p+1
InChIKey
FYCZAHDCPVQRPK-UHFFFAOYSA-O
Compound name
2-(5-amino-1,3,4-thiadiazol-3-ium-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.04495 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05223 127.4
[M+Na]+ 197.03417 135.3
[M-H]- 173.03767 128.6
[M+NH4]+ 192.07877 145.7
[M+K]+ 213.00811 127.6
[M+H-H2O]+ 157.04221 122.8
[M+HCOO]- 219.04315 147.4
[M+CH3COO]- 233.05880 174.4
[M+Na-2H]- 195.01962 133.1
[M]+ 174.04440 124.0
[M]- 174.04550 124.0
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.