CID 38322

(4-propargylaminophenyl)acetic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
C#CCNC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C11H11NO2/c1-2-7-12-10-5-3-9(4-6-10)8-11(13)14/h1,3-6,12H,7-8H2,(H,13,14)
InChIKey
UNQMRPKYKPITJO-UHFFFAOYSA-N
Compound name
2-[4-(prop-2-ynylamino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 143.0
[M+Na]+ 212.06820 153.8
[M+NH4]+ 207.11280 146.8
[M+K]+ 228.04214 145.0
[M-H]- 188.07170 136.4
[M+Na-2H]- 210.05365 145.6
[M]+ 189.07843 141.6
[M]- 189.07953 141.6
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