CID 36734

34272-87-2

Structural Information

Molecular Formula
C17H27NO
SMILES
CC1=CC=CC=C1C2(CCCCC2)OCCN(C)C
InChI
InChI=1S/C17H27NO/c1-15-9-5-6-10-16(15)17(11-7-4-8-12-17)19-14-13-18(2)3/h5-6,9-10H,4,7-8,11-14H2,1-3H3
InChIKey
YOLVLNFJNOEZSQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 164.7
[M+Na]+ 284.19848 168.1
[M-H]- 260.20198 171.5
[M+NH4]+ 279.24308 183.4
[M+K]+ 300.17242 166.3
[M+H-H2O]+ 244.20652 156.9
[M+HCOO]- 306.20746 185.5
[M+CH3COO]- 320.22311 203.0
[M+Na-2H]- 282.18393 168.0
[M]+ 261.20871 163.1
[M]- 261.20981 163.1
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

No patent data available for this compound.