CID 151827

1,3-dodecylpyridinium bromide

Structural Information

Molecular Formula
C17H29N
SMILES
CCCCCCCCCCCCC1=CN=CC=C1
InChI
InChI=1S/C17H29N/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18-16-17/h12,14-16H,2-11,13H2,1H3
InChIKey
BWCPIPANJFTRRK-UHFFFAOYSA-N
Compound name
3-dodecylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

59
Patents

247.23 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.237276 164.8
[M+Na]+ 270.219218 168.8
[M-H]- 246.222724 165.2
[M+NH4]+ 265.263823 180.8
[M+K]+ 286.193158 164.8
[M+H-H2O]+ 230.227260 156.6
[M+HCOO]- 292.228201 185.4
[M+CH3COO]- 306.243851 198.3
[M+Na-2H]- 268.204666 168.8
[M]+ 247.22945142 168.1
[M]- 247.23054858 168.1
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