CID 20201863

2-[(4-aminophenyl)methyl]butanoic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCC(CC1=CC=C(C=C1)N)C(=O)O
InChI
InChI=1S/C11H15NO2/c1-2-9(11(13)14)7-8-3-5-10(12)6-4-8/h3-6,9H,2,7,12H2,1H3,(H,13,14)
InChIKey
FUKUXANCTILXJK-UHFFFAOYSA-N
Compound name
2-[(4-aminophenyl)methyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

193.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 144.0
[M+Na]+ 216.09950 149.9
[M-H]- 192.10300 145.7
[M+NH4]+ 211.14410 162.2
[M+K]+ 232.07344 147.6
[M+H-H2O]+ 176.10754 138.0
[M+HCOO]- 238.10848 165.4
[M+CH3COO]- 252.12413 185.1
[M+Na-2H]- 214.08495 146.5
[M]+ 193.10973 142.2
[M]- 193.11083 142.2
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