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]+ 208.16959 149.8
[M+Na]+ 230.15153 156.6
[M-H]- 206.15503 152.3
[M+NH4]+ 225.19613 168.6
[M+K]+ 246.12547 153.8
[M+H-H2O]+ 190.15957 144.4
[M+HCOO]- 252.16051 171.2
[M+CH3COO]- 266.17616 189.7
[M+Na-2H]- 228.13698 154.9
[M]+ 207.16176 150.2
[M]- 207.16286 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