CID 9883673

(2r)-2-hydroxy-2-(naphthalen-2-yl)acetic acid

Structural Information

Molecular Formula
C12H10O3
SMILES
C1=CC=C2C=C(C=CC2=C1)[C@H](C(=O)O)O
InChI
InChI=1S/C12H10O3/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,13H,(H,14,15)/t11-/m1/s1
InChIKey
UJDJTWLEXYIASW-LLVKDONJSA-N
Compound name
(2R)-2-hydroxy-2-naphthalen-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

202.06299 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 141.1
[M+Na]+ 225.05221 148.2
[M-H]- 201.05571 143.1
[M+NH4]+ 220.09681 159.6
[M+K]+ 241.02615 145.1
[M+H-H2O]+ 185.06025 135.5
[M+HCOO]- 247.06119 160.3
[M+CH3COO]- 261.07684 180.9
[M+Na-2H]- 223.03766 146.9
[M]+ 202.06244 139.9
[M]- 202.06354 139.9
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