CID 23844

T-butylnorsynephrine

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)(C)NCC(C1=CC=C(C=C1)O)O
InChI
InChI=1S/C12H19NO2/c1-12(2,3)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,11,13-15H,8H2,1-3H3
InChIKey
JOGFUYPGDLRKHD-UHFFFAOYSA-N
Compound name
4-[2-(tert-butylamino)-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

13
Patents

209.14159 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.3
[M+Na]+ 232.13081 154.8
[M-H]- 208.13431 150.2
[M+NH4]+ 227.17541 166.8
[M+K]+ 248.10475 152.4
[M+H-H2O]+ 192.13885 143.9
[M+HCOO]- 254.13979 168.8
[M+CH3COO]- 268.15544 185.9
[M+Na-2H]- 230.11626 153.9
[M]+ 209.14104 147.8
[M]- 209.14214 147.8
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