CID 87701

Sd-10268

Structural Information

Molecular Formula
C8H21N2OPS
SMILES
CCCCSP(=O)(N(C)C)N(C)C
InChI
InChI=1S/C8H21N2OPS/c1-6-7-8-13-12(11,9(2)3)10(4)5/h6-8H2,1-5H3
InChIKey
RQAYRFMBTPCBDI-UHFFFAOYSA-N
Compound name
N-[butylsulfanyl(dimethylamino)phosphoryl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11850 152.0
[M+Na]+ 247.10044 156.9
[M-H]- 223.10394 153.8
[M+NH4]+ 242.14504 172.2
[M+K]+ 263.07438 157.7
[M+H-H2O]+ 207.10848 143.2
[M+HCOO]- 269.10942 176.8
[M+CH3COO]- 283.12507 202.1
[M+Na-2H]- 245.08589 151.1
[M]+ 224.11067 158.5
[M]- 224.11177 158.5
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.