CID 3700797

2-thiazolidinylidenecyanamide

Structural Information

Molecular Formula
C4H5N3S
SMILES
C1CSC(=N1)NC#N
InChI
InChI=1S/C4H5N3S/c5-3-7-4-6-1-2-8-4/h1-2H2,(H,6,7)
InChIKey
WTUAWWLVVCGTRG-UHFFFAOYSA-N
Compound name
4,5-dihydro-1,3-thiazol-2-ylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

294
Patents

127.02042 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02770 125.7
[M+Na]+ 150.00964 135.8
[M-H]- 126.01314 128.3
[M+NH4]+ 145.05424 146.3
[M+K]+ 165.98358 134.3
[M+H-H2O]+ 110.01768 112.9
[M+HCOO]- 172.01862 142.0
[M+CH3COO]- 186.03427 182.2
[M+Na-2H]- 147.99509 129.7
[M]+ 127.01987 120.1
[M]- 127.02097 120.1
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