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]+ 262.216536 164.7
[M+Na]+ 284.198478 168.1
[M-H]- 260.201984 171.5
[M+NH4]+ 279.243083 183.4
[M+K]+ 300.172418 166.3
[M+H-H2O]+ 244.206520 156.9
[M+HCOO]- 306.207461 185.5
[M+CH3COO]- 320.223111 203.0
[M+Na-2H]- 282.183926 168.0
[M]+ 261.20871142 163.1
[M]- 261.20980858 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.