CID 50999365

2',3'-dihydro-1'h-spiro[cyclobutane-1,4'-isoquinoline]

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC2(C1)CNCC3=CC=CC=C23
InChI
InChI=1S/C12H15N/c1-2-5-11-10(4-1)8-13-9-12(11)6-3-7-12/h1-2,4-5,13H,3,6-9H2
InChIKey
SGMNNJVCACUQMU-UHFFFAOYSA-N
Compound name
spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

173.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 134.9
[M+Na]+ 196.109668 140.6
[M-H]- 172.113174 138.2
[M+NH4]+ 191.154273 150.0
[M+K]+ 212.083608 139.5
[M+H-H2O]+ 156.117710 123.6
[M+HCOO]- 218.118651 151.3
[M+CH3COO]- 232.134301 146.5
[M+Na-2H]- 194.095116 143.5
[M]+ 173.11990142 137.4
[M]- 173.12099858 137.4
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