CID 210076

20904-18-1

Structural Information

Molecular Formula
C11H17NO
SMILES
CN(C)CCCOC1=CC=CC=C1
InChI
InChI=1S/C11H17NO/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
InChIKey
XXSADNWJNBXHHF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

374
Patents

179.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 140.6
[M+Na]+ 202.120228 146.4
[M-H]- 178.123734 145.2
[M+NH4]+ 197.164833 161.0
[M+K]+ 218.094168 145.9
[M+H-H2O]+ 162.128270 133.9
[M+HCOO]- 224.129211 166.3
[M+CH3COO]- 238.144861 187.8
[M+Na-2H]- 200.105676 147.3
[M]+ 179.13046142 143.2
[M]- 179.13155858 143.2
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

patents stripe