CID 21909922

4-(2-(tert-butylamino)ethyl)-2-methylphenol

Structural Information

Molecular Formula
C13H21NO
SMILES
CC1=C(C=CC(=C1)CCNC(C)(C)C)O
InChI
InChI=1S/C13H21NO/c1-10-9-11(5-6-12(10)15)7-8-14-13(2,3)4/h5-6,9,14-15H,7-8H2,1-4H3
InChIKey
NZVRVWRGZWEPRX-UHFFFAOYSA-N
Compound name
4-[2-(tert-butylamino)ethyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 149.8
[M+Na]+ 230.151528 156.6
[M-H]- 206.155034 152.3
[M+NH4]+ 225.196133 168.6
[M+K]+ 246.125468 153.8
[M+H-H2O]+ 190.159570 144.4
[M+HCOO]- 252.160511 171.2
[M+CH3COO]- 266.176161 189.7
[M+Na-2H]- 228.136976 154.9
[M]+ 207.16176142 150.2
[M]- 207.16285858 150.2
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

patents stripe