CID 25407

Beta-benzyl-2-indolineethanol

Structural Information

Molecular Formula
C17H19NO
SMILES
C1C(NC2=CC=CC=C21)C(CC3=CC=CC=C3)CO
InChI
InChI=1S/C17H19NO/c19-12-15(10-13-6-2-1-3-7-13)17-11-14-8-4-5-9-16(14)18-17/h1-9,15,17-19H,10-12H2
InChIKey
SNEACLOTUAXVQM-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-indol-2-yl)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 159.8
[M+Na]+ 276.13589 165.1
[M-H]- 252.13939 162.7
[M+NH4]+ 271.18049 176.5
[M+K]+ 292.10983 159.2
[M+H-H2O]+ 236.14393 152.2
[M+HCOO]- 298.14487 177.2
[M+CH3COO]- 312.16052 170.1
[M+Na-2H]- 274.12134 162.8
[M]+ 253.14612 156.0
[M]- 253.14722 156.0
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

No patent data available for this compound.