CID 16794881

92818-36-5

Structural Information

Molecular Formula
C15H15NO
SMILES
C1CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C15H15NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-7,10,16H,8-9,11H2
InChIKey
NHULNFPNWXCXDI-UHFFFAOYSA-N
Compound name
5-phenylmethoxy-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

225.11537 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 150.0
[M+Na]+ 248.10459 157.0
[M-H]- 224.10809 154.6
[M+NH4]+ 243.14919 168.6
[M+K]+ 264.07853 151.9
[M+H-H2O]+ 208.11263 142.3
[M+HCOO]- 270.11357 170.7
[M+CH3COO]- 284.12922 162.0
[M+Na-2H]- 246.09004 155.7
[M]+ 225.11482 148.0
[M]- 225.11592 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe