CID 9655

357-78-8

Structural Information

Molecular Formula
C16H25ClNO
SMILES
C[N+](C)(C)CC1CCCCC1(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C16H25ClNO/c1-18(2,3)12-14-6-4-5-11-16(14,19)13-7-9-15(17)10-8-13/h7-10,14,19H,4-6,11-12H2,1-3H3/q+1
InChIKey
NEPZTQLNTOKBTB-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-hydroxycyclohexyl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.16248 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16976 165.2
[M+Na]+ 305.15170 170.7
[M-H]- 281.15520 171.3
[M+NH4]+ 300.19630 183.6
[M+K]+ 321.12564 160.7
[M+H-H2O]+ 265.15974 162.4
[M+HCOO]- 327.16068 179.3
[M+CH3COO]- 341.17633 195.1
[M+Na-2H]- 303.13715 171.8
[M]+ 282.16193 162.5
[M]- 282.16303 162.5
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.