CID 37087

35205-54-0

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(COC1=CC=CC=C1)N
InChI
InChI=1S/C9H13NO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKey
IKYFHRVPKIFGMH-UHFFFAOYSA-N
Compound name
1-phenoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

279
Patents

151.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.3
[M+Na]+ 174.08894 138.5
[M-H]- 150.09244 135.3
[M+NH4]+ 169.13354 152.8
[M+K]+ 190.06288 137.2
[M+H-H2O]+ 134.09698 126.3
[M+HCOO]- 196.09792 156.5
[M+CH3COO]- 210.11357 178.3
[M+Na-2H]- 172.07439 138.5
[M]+ 151.09917 131.2
[M]- 151.10027 131.2
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