CID 1761779

2-[(4-butoxyphenyl)formamido]acetic acid

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C13H17NO4/c1-2-3-8-18-11-6-4-10(5-7-11)13(17)14-9-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKey
UCEXMJMSILZCHZ-UHFFFAOYSA-N
Compound name
2-[(4-butoxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2183
Patents

251.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 157.1
[M+Na]+ 274.10497 162.2
[M-H]- 250.10847 158.9
[M+NH4]+ 269.14957 172.9
[M+K]+ 290.07891 160.3
[M+H-H2O]+ 234.11301 150.2
[M+HCOO]- 296.11395 179.1
[M+CH3COO]- 310.12960 194.4
[M+Na-2H]- 272.09042 159.8
[M]+ 251.11520 159.1
[M]- 251.11630 159.1
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