CID 53407573

74444-73-8

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1CC(CC2=C1C=C(C=C2)Cl)(C(=O)O)N
InChI
InChI=1S/C11H12ClNO2/c12-9-2-1-8-6-11(13,10(14)15)4-3-7(8)5-9/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKey
ULPHLMBCRBDFDH-UHFFFAOYSA-N
Compound name
2-amino-6-chloro-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.05565 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 145.2
[M+Na]+ 248.04487 157.3
[M+NH4]+ 243.08947 155.5
[M+K]+ 264.01881 149.1
[M-H]- 224.04837 147.6
[M+Na-2H]- 246.03032 151.8
[M]+ 225.05510 147.9
[M]- 225.05620 147.9
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

patents stripe