CID 2757982

(4r)-1,3-thiazolidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C4H6N2S
SMILES
C1[C@H](NCS1)C#N
InChI
InChI=1S/C4H6N2S/c5-1-4-2-7-3-6-4/h4,6H,2-3H2/t4-/m1/s1
InChIKey
PRSDPVKGJUBIAA-SCSAIBSYSA-N
Compound name
(4R)-1,3-thiazolidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

114.02517 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.032446 123.4
[M+Na]+ 137.014388 133.2
[M-H]- 113.017894 124.8
[M+NH4]+ 132.058993 144.2
[M+K]+ 152.988328 131.1
[M+H-H2O]+ 97.022430 111.5
[M+HCOO]- 159.023371 136.5
[M+CH3COO]- 173.039021 176.4
[M+Na-2H]- 134.999836 126.0
[M]+ 114.02462142 115.9
[M]- 114.02571858 115.9
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

patents stripe