CID 11402

582-40-1

Structural Information

Molecular Formula
C12H18FNO
SMILES
CC(C)(C)NCC(C1=CC(=CC=C1)F)O
InChI
InChI=1S/C12H18FNO/c1-12(2,3)14-8-11(15)9-5-4-6-10(13)7-9/h4-7,11,14-15H,8H2,1-3H3
InChIKey
YKXCHWSPIFUXMT-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

211.13724 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.144516 148.4
[M+Na]+ 234.126458 154.5
[M-H]- 210.129964 149.3
[M+NH4]+ 229.171063 166.5
[M+K]+ 250.100398 151.9
[M+H-H2O]+ 194.134500 142.0
[M+HCOO]- 256.135441 168.1
[M+CH3COO]- 270.151091 189.0
[M+Na-2H]- 232.111906 152.9
[M]+ 211.13669142 146.2
[M]- 211.13778858 146.2
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