CID 2757982

391248-17-2

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

28
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 119.3
[M+Na]+ 137.01439 128.6
[M+NH4]+ 132.05899 125.1
[M+K]+ 152.98833 120.3
[M-H]- 113.01789 113.1
[M+Na-2H]- 134.99984 121.4
[M]+ 114.02462 118.2
[M]- 114.02572 118.2
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