CID 82278503

2',3'-dihydro-1'h-spiro[cyclopropane-1,4'-isoquinoline]-6'-ol

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CC12CNCC3=C2C=C(C=C3)O
InChI
InChI=1S/C11H13NO/c13-9-2-1-8-6-12-7-11(3-4-11)10(8)5-9/h1-2,5,12-13H,3-4,6-7H2
InChIKey
CTZYPYOYEBBGPO-UHFFFAOYSA-N
Compound name
spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

175.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 140.5
[M+Na]+ 198.088938 150.1
[M-H]- 174.092444 143.9
[M+NH4]+ 193.133543 156.6
[M+K]+ 214.062878 145.6
[M+H-H2O]+ 158.096980 134.5
[M+HCOO]- 220.097921 157.5
[M+CH3COO]- 234.113571 152.3
[M+Na-2H]- 196.074386 148.8
[M]+ 175.09917142 138.1
[M]- 175.10026858 138.1
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

patents stripe