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

10
Patents

193.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 144.0
[M+Na]+ 216.099498 149.9
[M-H]- 192.103004 145.7
[M+NH4]+ 211.144103 162.2
[M+K]+ 232.073438 147.6
[M+H-H2O]+ 176.107540 138.0
[M+HCOO]- 238.108481 165.4
[M+CH3COO]- 252.124131 185.1
[M+Na-2H]- 214.084946 146.5
[M]+ 193.10973142 142.2
[M]- 193.11082858 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