CID 6447363

Dodecylamine, 4-chloroallyl-

Structural Information

Molecular Formula
C15H30ClN
SMILES
CCCCCCCCC(CCCN)C/C=C/Cl
InChI
InChI=1S/C15H30ClN/c1-2-3-4-5-6-7-10-15(11-8-13-16)12-9-14-17/h8,13,15H,2-7,9-12,14,17H2,1H3/b13-8+
InChIKey
XNQLXAYEGVHJGL-MDWZMJQESA-N
Compound name
4-[(E)-3-chloroprop-2-enyl]dodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.20667 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.21395 170.2
[M+Na]+ 282.19589 173.8
[M-H]- 258.19939 168.2
[M+NH4]+ 277.24049 187.6
[M+K]+ 298.16983 168.3
[M+H-H2O]+ 242.20393 164.8
[M+HCOO]- 304.20487 186.1
[M+CH3COO]- 318.22052 201.6
[M+Na-2H]- 280.18134 169.8
[M]+ 259.20612 173.4
[M]- 259.20722 173.4
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.