CID 55253166

1803595-89-2

Structural Information

Molecular Formula
C12H15NO
SMILES
COC1=CC2=C(CNCC23CC3)C=C1
InChI
InChI=1S/C12H15NO/c1-14-10-3-2-9-7-13-8-12(4-5-12)11(9)6-10/h2-3,6,13H,4-5,7-8H2,1H3
InChIKey
YZRYNJIQEPUEAY-UHFFFAOYSA-N
Compound name
6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

189.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 145.8
[M+Na]+ 212.10459 155.3
[M-H]- 188.10809 150.4
[M+NH4]+ 207.14919 162.0
[M+K]+ 228.07853 151.6
[M+H-H2O]+ 172.11263 139.2
[M+HCOO]- 234.11357 163.9
[M+CH3COO]- 248.12922 157.8
[M+Na-2H]- 210.09004 153.8
[M]+ 189.11482 145.4
[M]- 189.11592 145.4
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