CID 104681262

2243516-13-2

Structural Information

Molecular Formula
C13H19NO3
SMILES
COC1=CC=C(C=C1)CC(CCCN)C(=O)O
InChI
InChI=1S/C13H19NO3/c1-17-12-6-4-10(5-7-12)9-11(13(15)16)3-2-8-14/h4-7,11H,2-3,8-9,14H2,1H3,(H,15,16)
InChIKey
QKNFULJIXKSMBM-UHFFFAOYSA-N
Compound name
5-amino-2-[(4-methoxyphenyl)methyl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 156.1
[M+Na]+ 260.12571 161.0
[M-H]- 236.12921 157.3
[M+NH4]+ 255.17031 172.4
[M+K]+ 276.09965 158.8
[M+H-H2O]+ 220.13375 149.4
[M+HCOO]- 282.13469 177.0
[M+CH3COO]- 296.15034 193.2
[M+Na-2H]- 258.11116 157.6
[M]+ 237.13594 156.5
[M]- 237.13704 156.5
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

No patent data available for this compound.