CID 9903376

115651-77-9

Structural Information

Molecular Formula
C17H29NO
SMILES
CCCCN(CCCC)[C@@H](C)[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C17H29NO/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16/h8-12,15,17,19H,4-7,13-14H2,1-3H3/t15-,17-/m0/s1
InChIKey
BRRGNOFUBFINSX-RDJZCZTQSA-N
Compound name
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

263.2249 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.23218 168.4
[M+Na]+ 286.21412 178.0
[M+NH4]+ 281.25872 175.9
[M+K]+ 302.18806 171.3
[M-H]- 262.21762 170.7
[M+Na-2H]- 284.19957 173.2
[M]+ 263.22435 170.3
[M]- 263.22545 170.3
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