CID 11701169

Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate

Structural Information

Molecular Formula
C12H14O2
SMILES
COC(=O)C1CCCC2=CC=CC=C12
InChI
InChI=1S/C12H14O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3
InChIKey
GBNNKNLJHYPKIG-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

190.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 140.0
[M+Na]+ 213.08860 146.5
[M-H]- 189.09210 144.1
[M+NH4]+ 208.13320 160.6
[M+K]+ 229.06254 144.4
[M+H-H2O]+ 173.09664 134.0
[M+HCOO]- 235.09758 160.3
[M+CH3COO]- 249.11323 183.0
[M+Na-2H]- 211.07405 146.0
[M]+ 190.09883 138.7
[M]- 190.09993 138.7
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