CID 52687

N-nitrosothiazolidine

Structural Information

Molecular Formula
C3H6N2OS
SMILES
C1CSCN1N=O
InChI
InChI=1S/C3H6N2OS/c6-4-5-1-2-7-3-5/h1-3H2
InChIKey
PROHBUGJUQHONA-UHFFFAOYSA-N
Compound name
3-nitroso-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

8
Patents

118.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02736 119.6
[M+Na]+ 141.00930 127.7
[M-H]- 117.01280 123.4
[M+NH4]+ 136.05390 143.3
[M+K]+ 156.98324 127.9
[M+H-H2O]+ 101.01734 113.6
[M+HCOO]- 163.01828 140.3
[M+CH3COO]- 177.03393 169.2
[M+Na-2H]- 138.99475 123.8
[M]+ 118.01953 119.9
[M]- 118.02063 119.9
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