CID 25662

13064-13-6

Structural Information

Molecular Formula
C13H21NO
SMILES
CCC(CCN(C)C)(C1=CC=CC=C1)O
InChI
InChI=1S/C13H21NO/c1-4-13(15,10-11-14(2)3)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKey
SNVUWIFPJAVATJ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-phenylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 150.1
[M+Na]+ 230.151528 155.1
[M-H]- 206.155034 153.2
[M+NH4]+ 225.196133 168.8
[M+K]+ 246.125468 153.6
[M+H-H2O]+ 190.159570 143.9
[M+HCOO]- 252.160511 172.0
[M+CH3COO]- 266.176161 191.5
[M+Na-2H]- 228.136976 155.8
[M]+ 207.16176142 151.0
[M]- 207.16285858 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe