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]+ 208.16959 151.7
[M+Na]+ 230.15153 155.2
[M-H]- 206.15503 153.2
[M+NH4]+ 225.19613 169.3
[M+K]+ 246.12547 153.4
[M+H-H2O]+ 190.15957 145.3
[M+HCOO]- 252.16051 171.6
[M+CH3COO]- 266.17616 190.3
[M+Na-2H]- 228.13698 153.6
[M]+ 207.16176 149.9
[M]- 207.16286 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.