CID 211122

Dtxsid70944982

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)NC(C)CC1=CC=CC=C1OC
InChI
InChI=1S/C13H21NO/c1-10(2)14-11(3)9-12-7-5-6-8-13(12)15-4/h5-8,10-11,14H,9H2,1-4H3
InChIKey
VIWVDXYATJDPPN-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 150.4
[M+Na]+ 230.151528 155.6
[M-H]- 206.155034 153.7
[M+NH4]+ 225.196133 169.2
[M+K]+ 246.125468 154.2
[M+H-H2O]+ 190.159570 143.9
[M+HCOO]- 252.160511 172.8
[M+CH3COO]- 266.176161 193.1
[M+Na-2H]- 228.136976 153.4
[M]+ 207.16176142 151.5
[M]- 207.16285858 151.5
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.