CID 15840

1866-98-4

Structural Information

Molecular Formula
C9H23NO2PS
SMILES
CC(C)OP(=O)(C)SCC[N+](C)(C)C
InChI
InChI=1S/C9H23NO2PS/c1-9(2)12-13(6,11)14-8-7-10(3,4)5/h9H,7-8H2,1-6H3/q+1
InChIKey
ICVORHBSXMYVGD-UHFFFAOYSA-N
Compound name
trimethyl-[2-[methyl(propan-2-yloxy)phosphoryl]sulfanylethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.11871 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12599 151.1
[M+Na]+ 263.10793 156.8
[M-H]- 239.11143 152.1
[M+NH4]+ 258.15253 170.6
[M+K]+ 279.08187 151.3
[M+H-H2O]+ 223.11597 146.5
[M+HCOO]- 285.11691 172.8
[M+CH3COO]- 299.13256 192.2
[M+Na-2H]- 261.09338 154.7
[M]+ 240.11816 156.6
[M]- 240.11926 156.6
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

patents stripe