CID 214385

1-(dimethylamino)-3-methyl-2-phenylpentan-3-ol

Structural Information

Molecular Formula
C14H23NO
SMILES
CCC(C)(C(CN(C)C)C1=CC=CC=C1)O
InChI
InChI=1S/C14H23NO/c1-5-14(2,16)13(11-15(3)4)12-9-7-6-8-10-12/h6-10,13,16H,5,11H2,1-4H3
InChIKey
UUCZENNAGNGMNO-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-methyl-2-phenylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 154.6
[M+Na]+ 244.16718 159.0
[M-H]- 220.17068 157.7
[M+NH4]+ 239.21178 172.7
[M+K]+ 260.14112 157.7
[M+H-H2O]+ 204.17522 148.4
[M+HCOO]- 266.17616 175.2
[M+CH3COO]- 280.19181 195.4
[M+Na-2H]- 242.15263 158.6
[M]+ 221.17741 155.3
[M]- 221.17851 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.