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

12
Patents

188.13135 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 134.6
[M+Na]+ 211.12057 139.4
[M-H]- 187.12407 138.6
[M+NH4]+ 206.16517 140.1
[M+K]+ 227.09451 141.4
[M+H-H2O]+ 171.12861 118.8
[M+HCOO]- 233.12955 150.1
[M+CH3COO]- 247.14520 192.2
[M+Na-2H]- 209.10602 141.6
[M]+ 188.13080 146.9
[M]- 188.13190 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