CID 18675731

5-chloro-3h-spiro[isobenzofuran-1,4'-piperidine] hydrochloride

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CNCCC12C3=C(CO2)C=C(C=C3)Cl
InChI
InChI=1S/C12H14ClNO/c13-10-1-2-11-9(7-10)8-15-12(11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKey
ZUKZVXUSZUGBOH-UHFFFAOYSA-N
Compound name
6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

223.07639 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 148.4
[M+Na]+ 246.06561 156.3
[M-H]- 222.06911 152.2
[M+NH4]+ 241.11021 169.1
[M+K]+ 262.03955 151.6
[M+H-H2O]+ 206.07365 142.3
[M+HCOO]- 268.07459 160.1
[M+CH3COO]- 282.09024 160.2
[M+Na-2H]- 244.05106 154.1
[M]+ 223.07584 144.6
[M]- 223.07694 144.6
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

patents stripe