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 125.5
[M+Na]+ 151.03004 136.1
[M-H]- 127.03354 128.4
[M+NH4]+ 146.07464 146.8
[M+K]+ 167.00398 134.6
[M+H-H2O]+ 111.03808 113.5
[M+HCOO]- 173.03902 139.6
[M+CH3COO]- 187.05467 182.5
[M+Na-2H]- 149.01549 127.6
[M]+ 128.04027 120.4
[M]- 128.04137 120.4
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.