CID 16784531

140406-65-1

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CN(CC2=CC=CC=C21)CC3CO3
InChI
InChI=1S/C12H15NO/c1-2-4-11-7-13(8-12-9-14-12)6-5-10(11)3-1/h1-4,12H,5-9H2
InChIKey
OBDIDGKANKNXDV-UHFFFAOYSA-N
Compound name
2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

189.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 143.4
[M+Na]+ 212.10459 158.7
[M+NH4]+ 207.14919 153.9
[M+K]+ 228.07853 152.5
[M-H]- 188.10809 155.8
[M+Na-2H]- 210.09004 153.1
[M]+ 189.11482 150.4
[M]- 189.11592 150.4
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