CID 43560047

4-(cyclopropylmethoxy)-3-methoxybenzoic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=C(C=CC(=C1)C(=O)O)OCC2CC2
InChI
InChI=1S/C12H14O4/c1-15-11-6-9(12(13)14)4-5-10(11)16-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,13,14)
InChIKey
YRIYKROBLXNIRI-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethoxy)-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

222.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 145.6
[M+Na]+ 245.078418 154.8
[M-H]- 221.081924 152.2
[M+NH4]+ 240.123023 158.7
[M+K]+ 261.052358 152.0
[M+H-H2O]+ 205.086460 139.1
[M+HCOO]- 267.087401 168.2
[M+CH3COO]- 281.103051 189.8
[M+Na-2H]- 243.063866 149.8
[M]+ 222.08865142 151.1
[M]- 222.08974858 151.1
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