CID 77318

2-imino-3-methylthiazolidine

Structural Information

Molecular Formula
C4H8N2S
SMILES
CN1CCSC1=N
InChI
InChI=1S/C4H8N2S/c1-6-2-3-7-4(6)5/h5H,2-3H2,1H3
InChIKey
YMTRVMXXEIEMLP-UHFFFAOYSA-N
Compound name
3-methyl-1,3-thiazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

69
Patents

116.04082 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04810 121.0
[M+Na]+ 139.03004 129.3
[M-H]- 115.03354 123.7
[M+NH4]+ 134.07464 144.5
[M+K]+ 155.00398 127.8
[M+H-H2O]+ 99.038080 115.5
[M+HCOO]- 161.03902 139.6
[M+CH3COO]- 175.05467 168.6
[M+Na-2H]- 137.01549 123.6
[M]+ 116.04027 118.7
[M]- 116.04137 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe