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

32
Patents

114.02517 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 123.4
[M+Na]+ 137.01439 133.2
[M-H]- 113.01789 124.8
[M+NH4]+ 132.05899 144.2
[M+K]+ 152.98833 131.1
[M+H-H2O]+ 97.022430 111.5
[M+HCOO]- 159.02337 136.5
[M+CH3COO]- 173.03902 176.4
[M+Na-2H]- 134.99984 126.0
[M]+ 114.02462 115.9
[M]- 114.02572 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