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

21
Patents

173.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 136.0
[M+Na]+ 196.10967 144.6
[M+NH4]+ 191.15427 143.9
[M+K]+ 212.08361 137.0
[M-H]- 172.11317 137.0
[M+Na-2H]- 194.09512 142.1
[M]+ 173.11990 136.6
[M]- 173.12100 136.6
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