CID 3057280

74008-00-7

Structural Information

Molecular Formula
C5H8N2S
SMILES
CN1CCSC1C#N
InChI
InChI=1S/C5H8N2S/c1-7-2-3-8-5(7)4-6/h5H,2-3H2,1H3
InChIKey
HICFRDKHAIAUNI-UHFFFAOYSA-N
Compound name
3-methyl-1,3-thiazolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.04082 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 122.1
[M+Na]+ 151.03004 132.0
[M+NH4]+ 146.07464 128.0
[M+K]+ 167.00398 123.5
[M-H]- 127.03354 116.3
[M+Na-2H]- 149.01549 124.3
[M]+ 128.04027 121.3
[M]- 128.04137 121.3
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.