CID 27292

3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)(CN(C)C)C(C1=CC=CC=C1)O
InChI
InChI=1S/C13H21NO/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11/h5-9,12,15H,10H2,1-4H3
InChIKey
NLLRYOWAAFLGMW-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2,2-dimethyl-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 149.9
[M+Na]+ 230.15153 154.7
[M-H]- 206.15503 153.2
[M+NH4]+ 225.19613 168.6
[M+K]+ 246.12547 153.7
[M+H-H2O]+ 190.15957 143.9
[M+HCOO]- 252.16051 170.9
[M+CH3COO]- 266.17616 192.3
[M+Na-2H]- 228.13698 154.5
[M]+ 207.16176 150.2
[M]- 207.16286 150.2
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.