CID 22289852

2-{[(4-methoxyphenyl)methyl]amino}propan-1-ol

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(CO)NCC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H17NO2/c1-9(8-13)12-7-10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
InChIKey
JECRNIMUUGOGMJ-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

195.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.2
[M+Na]+ 218.11515 150.1
[M-H]- 194.11865 146.4
[M+NH4]+ 213.15975 162.8
[M+K]+ 234.08909 148.3
[M+H-H2O]+ 178.12319 138.0
[M+HCOO]- 240.12413 167.1
[M+CH3COO]- 254.13978 185.6
[M+Na-2H]- 216.10060 149.2
[M]+ 195.12538 144.8
[M]- 195.12648 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe