CID 215778

Brn 2140139

Structural Information

Molecular Formula
C17H19NO
SMILES
CC1=CC=C(C=C1)C(C2CC3=CC=CC=C3C2O)N
InChI
InChI=1S/C17H19NO/c1-11-6-8-12(9-7-11)16(18)15-10-13-4-2-3-5-14(13)17(15)19/h2-9,15-17,19H,10,18H2,1H3
InChIKey
JOCHGAQKGHBVBS-UHFFFAOYSA-N
Compound name
2-[amino-(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 159.7
[M+Na]+ 276.13589 172.3
[M+NH4]+ 271.18049 169.2
[M+K]+ 292.10983 166.7
[M-H]- 252.13939 164.9
[M+Na-2H]- 274.12134 166.5
[M]+ 253.14612 162.9
[M]- 253.14722 162.9
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.