CID 52853

1,3,2-dithiaphospholane, 2-(dibutylamino)-

Structural Information

Molecular Formula
C10H22NPS2
SMILES
CCCCN(CCCC)P1SCCS1
InChI
InChI=1S/C10H22NPS2/c1-3-5-7-11(8-6-4-2)12-13-9-10-14-12/h3-10H2,1-2H3
InChIKey
QIUMVPDZHZJKCG-UHFFFAOYSA-N
Compound name
N,N-dibutyl-1,3,2-dithiaphospholan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09312 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10040 153.0
[M+Na]+ 274.08234 157.1
[M-H]- 250.08584 155.5
[M+NH4]+ 269.12694 173.4
[M+K]+ 290.05628 154.8
[M+H-H2O]+ 234.09038 143.9
[M+HCOO]- 296.09132 171.1
[M+CH3COO]- 310.10697 199.0
[M+Na-2H]- 272.06779 147.4
[M]+ 251.09257 155.8
[M]- 251.09367 155.8
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.