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]+ 264.23218 168.6
[M+Na]+ 286.21412 172.2
[M-H]- 262.21762 170.0
[M+NH4]+ 281.25872 184.6
[M+K]+ 302.18806 169.4
[M+H-H2O]+ 246.22216 162.3
[M+HCOO]- 308.22310 186.6
[M+CH3COO]- 322.23875 202.3
[M+Na-2H]- 284.19957 169.8
[M]+ 263.22435 168.7
[M]- 263.22545 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.