CID 72213240

1260670-75-4

Structural Information

Molecular Formula
C10H18N2O3S
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)C(=S)N
InChI
InChI=1S/C10H18N2O3S/c1-10(2,3)15-9(13)12-4-5-14-7(6-12)8(11)16/h7H,4-6H2,1-3H3,(H2,11,16)
InChIKey
COPIEWIQTZKNFA-UHFFFAOYSA-N
Compound name
tert-butyl 2-carbamothioylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10382 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11110 156.8
[M+Na]+ 269.09304 161.2
[M-H]- 245.09654 158.5
[M+NH4]+ 264.13764 171.4
[M+K]+ 285.06698 160.8
[M+H-H2O]+ 229.10108 150.4
[M+HCOO]- 291.10202 167.2
[M+CH3COO]- 305.11767 191.8
[M+Na-2H]- 267.07849 156.8
[M]+ 246.10327 155.5
[M]- 246.10437 155.5
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.