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]+ 224.12813 150.4
[M+Na]+ 246.11007 156.0
[M-H]- 222.11357 152.3
[M+NH4]+ 241.15467 167.6
[M+K]+ 262.08401 153.8
[M+H-H2O]+ 206.11811 143.7
[M+HCOO]- 268.11905 173.3
[M+CH3COO]- 282.13470 189.9
[M+Na-2H]- 244.09552 154.8
[M]+ 223.12030 152.1
[M]- 223.12140 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.