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]+ 129.048096 125.5
[M+Na]+ 151.030038 136.1
[M-H]- 127.033544 128.4
[M+NH4]+ 146.074643 146.8
[M+K]+ 167.003978 134.6
[M+H-H2O]+ 111.038080 113.5
[M+HCOO]- 173.039021 139.6
[M+CH3COO]- 187.054671 182.5
[M+Na-2H]- 149.015486 127.6
[M]+ 128.04027142 120.4
[M]- 128.04136858 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.