CID 24847725

96432-75-6

Structural Information

Molecular Formula
C13H21NO
SMILES
CCCC1=C(C(=CC(=C1)CN(C)C)C)O
InChI
InChI=1S/C13H21NO/c1-5-6-12-8-11(9-14(3)4)7-10(2)13(12)15/h7-8,15H,5-6,9H2,1-4H3
InChIKey
MVJCGRUYNJGNPR-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-2-methyl-6-propylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 148.8
[M+Na]+ 230.151528 156.2
[M-H]- 206.155034 152.8
[M+NH4]+ 225.196133 168.4
[M+K]+ 246.125468 154.4
[M+H-H2O]+ 190.159570 142.8
[M+HCOO]- 252.160511 172.3
[M+CH3COO]- 266.176161 194.6
[M+Na-2H]- 228.136976 151.8
[M]+ 207.16176142 151.4
[M]- 207.16285858 151.4
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.