CID 533905

72156-33-3

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(C)(C)NCC(C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3
InChIKey
NRVOOKOHYKJCPB-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

59
Patents

193.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 146.2
[M+Na]+ 216.13589 156.6
[M+NH4]+ 211.18049 154.2
[M+K]+ 232.10983 151.1
[M-H]- 192.13939 147.9
[M+Na-2H]- 214.12134 152.3
[M]+ 193.14612 148.1
[M]- 193.14722 148.1
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