CID 29309

Bs-36

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)CNC(C)C(C1=CC=CC=C1)O
InChI
InChI=1S/C13H21NO/c1-10(2)9-14-11(3)13(15)12-7-5-4-6-8-12/h4-8,10-11,13-15H,9H2,1-3H3
InChIKey
HYDMRUNKJCYDQR-UHFFFAOYSA-N
Compound name
2-(2-methylpropylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 151.7
[M+Na]+ 230.151528 155.2
[M-H]- 206.155034 153.2
[M+NH4]+ 225.196133 169.3
[M+K]+ 246.125468 153.4
[M+H-H2O]+ 190.159570 145.3
[M+HCOO]- 252.160511 171.6
[M+CH3COO]- 266.176161 190.3
[M+Na-2H]- 228.136976 153.6
[M]+ 207.16176142 149.9
[M]- 207.16285858 149.9
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.