CID 56962144

1-benzyl-1,6-diazaspiro[3.3]heptane dihydrochloride

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CN(C12CNC2)CC3=CC=CC=C3
InChI
InChI=1S/C12H16N2/c1-2-4-11(5-3-1)8-14-7-6-12(14)9-13-10-12/h1-5,13H,6-10H2
InChIKey
CNNOPAFADPEJRD-UHFFFAOYSA-N
Compound name
1-benzyl-1,6-diazaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

188.13135 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 134.6
[M+Na]+ 211.120568 139.4
[M-H]- 187.124074 138.6
[M+NH4]+ 206.165173 140.1
[M+K]+ 227.094508 141.4
[M+H-H2O]+ 171.128610 118.8
[M+HCOO]- 233.129551 150.1
[M+CH3COO]- 247.145201 192.2
[M+Na-2H]- 209.106016 141.6
[M]+ 188.13080142 146.9
[M]- 188.13189858 146.9
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