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
2
Annotation Hits

0
References

185
Patents

238.08073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08801 152.6
[M+Na]+ 261.06995 157.1
[M-H]- 237.07345 151.7
[M+NH4]+ 256.11455 170.2
[M+K]+ 277.04389 156.1
[M+H-H2O]+ 221.07799 146.2
[M+HCOO]- 283.07893 169.6
[M+CH3COO]- 297.09458 191.9
[M+Na-2H]- 259.05540 154.3
[M]+ 238.08018 156.1
[M]- 238.08128 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