CID 139598047

Dtxsid401029384

Structural Information

Molecular Formula
C17H29NO
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CNCC(C)O
InChI
InChI=1S/C17H29NO/c1-13(11-18-12-14(2)19)10-15-6-8-16(9-7-15)17(3,4)5/h6-9,13-14,18-19H,10-12H2,1-5H3
InChIKey
YMTCNKNGFIGXIT-UHFFFAOYSA-N
Compound name
1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

263.2249 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.23218 168.4
[M+Na]+ 286.21412 177.8
[M+NH4]+ 281.25872 175.4
[M+K]+ 302.18806 172.1
[M-H]- 262.21762 169.7
[M+Na-2H]- 284.19957 172.6
[M]+ 263.22435 170.0
[M]- 263.22545 170.0
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

No patent data available for this compound.