CID 48218

Brn 2644554

Structural Information

Molecular Formula
C14H23NO
SMILES
CCN(CCCCO)CCC1=CC=CC=C1
InChI
InChI=1S/C14H23NO/c1-2-15(11-6-7-13-16)12-10-14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3
InChIKey
XBEGUKCYHNOEDD-UHFFFAOYSA-N
Compound name
4-[ethyl(2-phenylethyl)amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 155.0
[M+Na]+ 244.16718 159.0
[M-H]- 220.17068 157.5
[M+NH4]+ 239.21178 172.9
[M+K]+ 260.14112 156.8
[M+H-H2O]+ 204.17522 147.9
[M+HCOO]- 266.17616 178.1
[M+CH3COO]- 280.19181 194.1
[M+Na-2H]- 242.15263 159.4
[M]+ 221.17741 156.7
[M]- 221.17851 156.7
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.