CID 3835583

2-(nitromethylidene)-1,3-thiazolidine

Structural Information

Molecular Formula
C4H6N2O2S
SMILES
C1CSC(=C[N+](=O)[O-])N1
InChI
InChI=1S/C4H6N2O2S/c7-6(8)3-4-5-1-2-9-4/h3,5H,1-2H2
InChIKey
IDEZECZCLMOIJN-UHFFFAOYSA-N
Compound name
2-(nitromethylidene)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

60
Patents

146.015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02228 127.5
[M+Na]+ 169.00422 133.9
[M-H]- 145.00772 128.4
[M+NH4]+ 164.04882 148.1
[M+K]+ 184.97816 127.7
[M+H-H2O]+ 129.01226 126.6
[M+HCOO]- 191.01320 144.8
[M+CH3COO]- 205.02885 160.4
[M+Na-2H]- 166.98967 131.4
[M]+ 146.01445 121.9
[M]- 146.01555 121.9
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