CID 94088

Carbamimidothioic acid, 3-(trimethoxysilyl)propyl ester, monohydrochloride

Structural Information

Molecular Formula
C7H18N2O3SSi
SMILES
CO[Si](CCCSC(=N)N)(OC)OC
InChI
InChI=1S/C7H18N2O3SSi/c1-10-14(11-2,12-3)6-4-5-13-7(8)9/h4-6H2,1-3H3,(H3,8,9)
InChIKey
HTYZAYXDHKUMCW-UHFFFAOYSA-N
Compound name
3-trimethoxysilylpropyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

189
Patents

238.08073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.088006 152.6
[M+Na]+ 261.069948 157.1
[M-H]- 237.073454 151.7
[M+NH4]+ 256.114553 170.2
[M+K]+ 277.043888 156.1
[M+H-H2O]+ 221.077990 146.2
[M+HCOO]- 283.078931 169.6
[M+CH3COO]- 297.094581 191.9
[M+Na-2H]- 259.055396 154.3
[M]+ 238.08018142 156.1
[M]- 238.08127858 156.1
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

patents stripe