CID 167724006

4-(2-aminopropoxy)-2-chlorobenzoic acid hydrochloride

Structural Information

Molecular Formula
C10H12ClNO3
SMILES
CC(COC1=CC(=C(C=C1)C(=O)O)Cl)N
InChI
InChI=1S/C10H12ClNO3/c1-6(12)5-15-7-2-3-8(10(13)14)9(11)4-7/h2-4,6H,5,12H2,1H3,(H,13,14)
InChIKey
PHPFKFBRNBTFAA-UHFFFAOYSA-N
Compound name
4-(2-aminopropoxy)-2-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05057 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05785 147.1
[M+Na]+ 252.03979 155.0
[M-H]- 228.04329 149.2
[M+NH4]+ 247.08439 165.0
[M+K]+ 268.01373 151.6
[M+H-H2O]+ 212.04783 142.3
[M+HCOO]- 274.04877 164.6
[M+CH3COO]- 288.06442 189.2
[M+Na-2H]- 250.02524 149.2
[M]+ 229.05002 148.9
[M]- 229.05112 148.9
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

No patent data available for this compound.