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]+ 262.21654 163.3
[M+Na]+ 284.19848 169.6
[M-H]- 260.20198 168.7
[M+NH4]+ 279.24308 184.1
[M+K]+ 300.17242 167.6
[M+H-H2O]+ 244.20652 156.8
[M+HCOO]- 306.20746 183.8
[M+CH3COO]- 320.22311 206.8
[M+Na-2H]- 282.18393 167.0
[M]+ 261.20871 165.3
[M]- 261.20981 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.