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
4
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]+ 264.232176 168.6
[M+Na]+ 286.214118 172.2
[M-H]- 262.217624 170.0
[M+NH4]+ 281.258723 184.6
[M+K]+ 302.188058 169.4
[M+H-H2O]+ 246.222160 162.3
[M+HCOO]- 308.223101 186.6
[M+CH3COO]- 322.238751 202.3
[M+Na-2H]- 284.199566 169.8
[M]+ 263.22435142 168.7
[M]- 263.22544858 168.7
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.