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

24
Patents

222.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 145.6
[M+Na]+ 245.07842 154.8
[M-H]- 221.08192 152.2
[M+NH4]+ 240.12302 158.7
[M+K]+ 261.05236 152.0
[M+H-H2O]+ 205.08646 139.1
[M+HCOO]- 267.08740 168.2
[M+CH3COO]- 281.10305 189.8
[M+Na-2H]- 243.06387 149.8
[M]+ 222.08865 151.1
[M]- 222.08975 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