CID 130575045

1-(4-bromophenyl)-2-azaspiro[3.3]heptane

Structural Information

Molecular Formula
C12H14BrN
SMILES
C1CC2(C1)CNC2C3=CC=C(C=C3)Br
InChI
InChI=1S/C12H14BrN/c13-10-4-2-9(3-5-10)11-12(8-14-11)6-1-7-12/h2-5,11,14H,1,6-8H2
InChIKey
SNCNPLQKVQNUCM-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03096 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 128.5
[M+Na]+ 274.02018 136.9
[M-H]- 250.02368 136.4
[M+NH4]+ 269.06478 137.4
[M+K]+ 289.99412 131.5
[M+H-H2O]+ 234.02822 120.8
[M+HCOO]- 296.02916 143.8
[M+CH3COO]- 310.04481 199.4
[M+Na-2H]- 272.00563 136.9
[M]+ 251.03041 156.7
[M]- 251.03151 156.7
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.