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

3
Patents

175.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 140.5
[M+Na]+ 198.08894 150.1
[M-H]- 174.09244 143.9
[M+NH4]+ 193.13354 156.6
[M+K]+ 214.06288 145.6
[M+H-H2O]+ 158.09698 134.5
[M+HCOO]- 220.09792 157.5
[M+CH3COO]- 234.11357 152.3
[M+Na-2H]- 196.07439 148.8
[M]+ 175.09917 138.1
[M]- 175.10027 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