CID 61398066

2-[3-(cyclopropylmethoxy)phenyl]acetic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
C1CC1COC2=CC=CC(=C2)CC(=O)O
InChI
InChI=1S/C12H14O3/c13-12(14)7-10-2-1-3-11(6-10)15-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H,13,14)
InChIKey
BHTUBVZDBCKLFO-UHFFFAOYSA-N
Compound name
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

206.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.101576 142.5
[M+Na]+ 229.083518 151.0
[M-H]- 205.087024 148.8
[M+NH4]+ 224.128123 156.0
[M+K]+ 245.057458 147.9
[M+H-H2O]+ 189.091560 136.0
[M+HCOO]- 251.092501 165.0
[M+CH3COO]- 265.108151 186.6
[M+Na-2H]- 227.068966 147.5
[M]+ 206.09375142 146.2
[M]- 206.09484858 146.2
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