CID 3049326

64656-40-2

Structural Information

Molecular Formula
C14H23NO
SMILES
CCCN(CCC)CCC1=CC(=CC=C1)O
InChI
InChI=1S/C14H23NO/c1-3-9-15(10-4-2)11-8-13-6-5-7-14(16)12-13/h5-7,12,16H,3-4,8-11H2,1-2H3
InChIKey
ZNNWOWADALHHDU-UHFFFAOYSA-N
Compound name
3-[2-(dipropylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

221.17796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 154.6
[M+Na]+ 244.16718 159.7
[M-H]- 220.17068 157.6
[M+NH4]+ 239.21178 172.9
[M+K]+ 260.14112 157.5
[M+H-H2O]+ 204.17522 147.8
[M+HCOO]- 266.17616 177.8
[M+CH3COO]- 280.19181 195.3
[M+Na-2H]- 242.15263 158.4
[M]+ 221.17741 156.8
[M]- 221.17851 156.8
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

patents stripe