CID 6332106

Tributyl(cyanomethyl)phosphanium chloride

Structural Information

Molecular Formula
C14H29NP
SMILES
CCCC[P+](CCCC)(CCCC)CC#N
InChI
InChI=1S/C14H29NP/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h4-9,11-14H2,1-3H3/q+1
InChIKey
HILRAMQWKMIWCB-UHFFFAOYSA-N
Compound name
tributyl(cyanomethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

443
Patents

242.20377 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.21105 159.5
[M+Na]+ 265.19299 166.0
[M-H]- 241.19649 158.9
[M+NH4]+ 260.23759 176.4
[M+K]+ 281.16693 159.0
[M+H-H2O]+ 225.20103 148.7
[M+HCOO]- 287.20197 180.9
[M+CH3COO]- 301.21762 204.7
[M+Na-2H]- 263.17844 162.7
[M]+ 242.20322 158.9
[M]- 242.20432 158.9
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