CID 6455311

(2e)-2-(nitromethylidene)-1,3-thiazolidine

Structural Information

Molecular Formula
C4H6N2O2S
SMILES
C1CS/C(=C/[N+](=O)[O-])/N1
InChI
InChI=1S/C4H6N2O2S/c7-6(8)3-4-5-1-2-9-4/h3,5H,1-2H2/b4-3+
InChIKey
IDEZECZCLMOIJN-ONEGZZNKSA-N
Compound name
(2E)-2-(nitromethylidene)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

84
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.