CID 57832

N-(p-butoxyphenyl)glycine

Structural Information

Molecular Formula
C12H17NO3
SMILES
CCCCOC1=CC=C(C=C1)NCC(=O)O
InChI
InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)13-9-12(14)15/h4-7,13H,2-3,8-9H2,1H3,(H,14,15)
InChIKey
IYTKQZNVGDSFLH-UHFFFAOYSA-N
Compound name
2-(4-butoxyanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.128126 150.4
[M+Na]+ 246.110068 156.0
[M-H]- 222.113574 152.3
[M+NH4]+ 241.154673 167.6
[M+K]+ 262.084008 153.8
[M+H-H2O]+ 206.118110 143.7
[M+HCOO]- 268.119051 173.3
[M+CH3COO]- 282.134701 189.9
[M+Na-2H]- 244.095516 154.8
[M]+ 223.12030142 152.1
[M]- 223.12139858 152.1
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.