CID 66551

2-methyl-1-naphthaleneacetic acid

Structural Information

Molecular Formula
C13H12O2
SMILES
CC1=C(C2=CC=CC=C2C=C1)CC(=O)O
InChI
InChI=1S/C13H12O2/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKey
GQHUFHPHBHEKSX-UHFFFAOYSA-N
Compound name
2-(2-methylnaphthalen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

200.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 141.6
[M+Na]+ 223.07294 150.1
[M-H]- 199.07644 145.2
[M+NH4]+ 218.11754 161.5
[M+K]+ 239.04688 146.6
[M+H-H2O]+ 183.08098 135.9
[M+HCOO]- 245.08192 162.9
[M+CH3COO]- 259.09757 184.6
[M+Na-2H]- 221.05839 147.9
[M]+ 200.08317 142.2
[M]- 200.08427 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

literature stripe

Patent stripe

patents stripe