CID 16683139

Nsc628575

Structural Information

Molecular Formula
C22H44N2O4Sn
SMILES
CCCCCCCC[Sn]1(N(CCNCC(=O)O1)CC(=O)O)CCCCCCCC
InChI
InChI=1S/2C8H17.C6H11N2O4.Sn/c2*1-3-5-7-8-6-4-2;9-5(10)3-7-1-2-8-4-6(11)12;/h2*1,3-8H2,2H3;7H,1-4H2,(H,9,10)(H,11,12);/q;;-1;+2/p-1
InChIKey
ULVKHAHTZFBZCX-UHFFFAOYSA-M
Compound name
2-(2,2-dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2323 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.23958 195.4
[M+Na]+ 543.22152 197.0
[M-H]- 519.22502 193.5
[M+NH4]+ 538.26612 198.2
[M+K]+ 559.19546 196.0
[M+H-H2O]+ 503.22956 190.0
[M+HCOO]- 565.23050 198.7
[M+CH3COO]- 579.24615 241.3
[M+Na-2H]- 541.20697 190.4
[M]+ 520.23175 196.0
[M]- 520.23285 196.0
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.