CID 3053273

4-(1-sec-butyl-2-(dimethylamino)ethyl)phenol

Structural Information

Molecular Formula
C14H23NO
SMILES
CCC(C)C1=CC(=C(C=C1)O)CCN(C)C
InChI
InChI=1S/C14H23NO/c1-5-11(2)12-6-7-14(16)13(10-12)8-9-15(3)4/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKey
MTJOZEKFPWZGCS-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 154.3
[M+Na]+ 244.16718 160.1
[M-H]- 220.17068 157.9
[M+NH4]+ 239.21178 172.9
[M+K]+ 260.14112 158.5
[M+H-H2O]+ 204.17522 148.0
[M+HCOO]- 266.17616 176.5
[M+CH3COO]- 280.19181 197.3
[M+Na-2H]- 242.15263 156.2
[M]+ 221.17741 156.3
[M]- 221.17851 156.3
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.