CID 39732815

1210513-03-3

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CCC2(CC1)C3=CC=CN3CCN2
InChI
InChI=1S/C12H18N2/c1-2-6-12(7-3-1)11-5-4-9-14(11)10-8-13-12/h4-5,9,13H,1-3,6-8,10H2
InChIKey
OZCKMMNQSXHJHE-UHFFFAOYSA-N
Compound name
spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.147 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 145.3
[M+Na]+ 213.13622 150.3
[M-H]- 189.13972 146.5
[M+NH4]+ 208.18082 166.0
[M+K]+ 229.11016 146.0
[M+H-H2O]+ 173.14426 137.1
[M+HCOO]- 235.14520 159.6
[M+CH3COO]- 249.16085 155.8
[M+Na-2H]- 211.12167 150.3
[M]+ 190.14645 136.1
[M]- 190.14755 136.1
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.