CID 5106602

1-methoxy-3-phenylpropan-2-amine

Structural Information

Molecular Formula
C10H15NO
SMILES
COCC(CC1=CC=CC=C1)N
InChI
InChI=1S/C10H15NO/c1-12-8-10(11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3
InChIKey
FAZIHZPDHJBQKN-UHFFFAOYSA-N
Compound name
1-methoxy-3-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

165.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.9
[M+Na]+ 188.10459 142.8
[M-H]- 164.10809 139.8
[M+NH4]+ 183.14919 156.9
[M+K]+ 204.07853 141.2
[M+H-H2O]+ 148.11263 130.7
[M+HCOO]- 210.11357 160.8
[M+CH3COO]- 224.12922 181.4
[M+Na-2H]- 186.09004 142.6
[M]+ 165.11482 136.2
[M]- 165.11592 136.2
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