CID 44710

63766-05-2

Structural Information

Molecular Formula
C17H27NO
SMILES
CC1CCC2=C(C1(C)CCN(C)C)C=C(C=C2)OC
InChI
InChI=1S/C17H27NO/c1-13-6-7-14-8-9-15(19-5)12-16(14)17(13,2)10-11-18(3)4/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKey
VQKKRSIBMGWIQK-UHFFFAOYSA-N
Compound name
2-(7-methoxy-1,2-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.216536 163.3
[M+Na]+ 284.198478 169.6
[M-H]- 260.201984 168.7
[M+NH4]+ 279.243083 184.1
[M+K]+ 300.172418 167.6
[M+H-H2O]+ 244.206520 156.8
[M+HCOO]- 306.207461 183.8
[M+CH3COO]- 320.223111 206.8
[M+Na-2H]- 282.183926 167.0
[M]+ 261.20871142 165.3
[M]- 261.20980858 165.3
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.