CID 3720216

160351-06-4

Structural Information

Molecular Formula
C18H31NOSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(C=NC=C1)C=O
InChI
InChI=1S/C6H4NO.3C4H9.Sn/c8-5-6-2-1-3-7-4-6;3*1-3-4-2;/h1,3-5H;3*1,3-4H2,2H3;
InChIKey
CQDQKSXEFDNNNH-UHFFFAOYSA-N
Compound name
4-tributylstannylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

397.14276 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15004 197.2
[M+Na]+ 420.13198 201.1
[M-H]- 396.13548 197.2
[M+NH4]+ 415.17658 210.6
[M+K]+ 436.10592 196.3
[M+H-H2O]+ 380.14002 188.2
[M+HCOO]- 442.14096 214.7
[M+CH3COO]- 456.15661 210.8
[M+Na-2H]- 418.11743 197.8
[M]+ 397.14221 201.9
[M]- 397.14331 201.9
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