CID 16708

2238-73-5

Structural Information

Molecular Formula
C15H23ClNO
SMILES
C[N+](C)(C)CCC(CC=C)(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C15H23ClNO/c1-5-10-15(18,11-12-17(2,3)4)13-6-8-14(16)9-7-13/h5-9,18H,1,10-12H2,2-4H3/q+1
InChIKey
AXJPMHAUPPHOIW-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-3-hydroxyhex-5-enyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14682 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15410 162.0
[M+Na]+ 291.13604 168.6
[M-H]- 267.13954 165.4
[M+NH4]+ 286.18064 179.4
[M+K]+ 307.10998 158.3
[M+H-H2O]+ 251.14408 160.0
[M+HCOO]- 313.14502 177.8
[M+CH3COO]- 327.16067 194.3
[M+Na-2H]- 289.12149 170.1
[M]+ 268.14627 163.8
[M]- 268.14737 163.8
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.