CID 13288325

7-methyl-2-naphthalenecarboxylic acid

Structural Information

Molecular Formula
C12H10O2
SMILES
CC1=CC2=C(C=C1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C12H10O2/c1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8/h2-7H,1H3,(H,13,14)
InChIKey
WBCZIZCMFWRDIJ-UHFFFAOYSA-N
Compound name
7-methylnaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

186.06808 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 136.8
[M+Na]+ 209.05730 145.8
[M-H]- 185.06080 140.6
[M+NH4]+ 204.10190 157.3
[M+K]+ 225.03124 142.5
[M+H-H2O]+ 169.06534 131.3
[M+HCOO]- 231.06628 158.5
[M+CH3COO]- 245.08193 181.5
[M+Na-2H]- 207.04275 143.7
[M]+ 186.06753 137.1
[M]- 186.06863 137.1
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