CID 24706165

2-[4-(prop-2-ynamido)phenyl]acetic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
C#CC(=O)NC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C11H9NO3/c1-2-10(13)12-9-5-3-8(4-6-9)7-11(14)15/h1,3-6H,7H2,(H,12,13)(H,14,15)
InChIKey
UERZSBQTBIIUTQ-UHFFFAOYSA-N
Compound name
2-[4-(prop-2-ynoylamino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 145.4
[M+Na]+ 226.04746 155.5
[M+NH4]+ 221.09206 148.3
[M+K]+ 242.02140 147.9
[M-H]- 202.05096 137.9
[M+Na-2H]- 224.03291 147.2
[M]+ 203.05769 143.6
[M]- 203.05879 143.6
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