CID 9570953

100836-63-3

Structural Information

Molecular Formula
C9H16N2O2S
SMILES
CC(C)(C)OC(=O)/N=C/1\N(CCS1)C
InChI
InChI=1S/C9H16N2O2S/c1-9(2,3)13-8(12)10-7-11(4)5-6-14-7/h5-6H2,1-4H3/b10-7+
InChIKey
KMRYLCHANUSCLD-JXMROGBWSA-N
Compound name
tert-butyl (NE)-N-(3-methyl-1,3-thiazolidin-2-ylidene)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09325 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10053 150.5
[M+Na]+ 239.08247 157.3
[M-H]- 215.08597 154.1
[M+NH4]+ 234.12707 170.8
[M+K]+ 255.05641 156.7
[M+H-H2O]+ 199.09051 144.5
[M+HCOO]- 261.09145 167.1
[M+CH3COO]- 275.10710 187.9
[M+Na-2H]- 237.06792 151.0
[M]+ 216.09270 152.6
[M]- 216.09380 152.6
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.