CID 418237

3-phenoxypropan-1-amine

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC=C(C=C1)OCCCN
InChI
InChI=1S/C9H13NO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
InChIKey
DXVQSHRBALIFBC-UHFFFAOYSA-N
Compound name
3-phenoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

930
Patents

151.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.7
[M+Na]+ 174.08894 143.7
[M+NH4]+ 169.13354 140.7
[M+K]+ 190.06288 136.7
[M-H]- 150.09244 134.7
[M+Na-2H]- 172.07439 139.3
[M]+ 151.09917 134.2
[M]- 151.10027 134.2
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