CID 42130004

2219353-78-1

Structural Information

Molecular Formula
C13H16ClNO
SMILES
C1CCC2(C1)C[C@@H](C3=C(O2)C=CC(=C3)Cl)N
InChI
InChI=1S/C13H16ClNO/c14-9-3-4-12-10(7-9)11(15)8-13(16-12)5-1-2-6-13/h3-4,7,11H,1-2,5-6,8,15H2/t11-/m0/s1
InChIKey
QXAJODYLQZMLAF-NSHDSACASA-N
Compound name
(4S)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09204 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09932 152.8
[M+Na]+ 260.08126 160.8
[M-H]- 236.08476 159.1
[M+NH4]+ 255.12586 174.8
[M+K]+ 276.05520 156.3
[M+H-H2O]+ 220.08930 147.6
[M+HCOO]- 282.09024 167.4
[M+CH3COO]- 296.10589 165.2
[M+Na-2H]- 258.06671 157.5
[M]+ 237.09149 149.6
[M]- 237.09259 149.6
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.