CID 82017767

118587-85-2

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC1=CC2=C(C=C1)C(CC2)(CN)O
InChI
InChI=1S/C11H15NO2/c1-14-9-2-3-10-8(6-9)4-5-11(10,13)7-12/h2-3,6,13H,4-5,7,12H2,1H3
InChIKey
WZRXYORCRPUWNZ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.0
[M+Na]+ 216.09950 149.4
[M-H]- 192.10300 144.2
[M+NH4]+ 211.14410 164.5
[M+K]+ 232.07344 146.4
[M+H-H2O]+ 176.10754 136.4
[M+HCOO]- 238.10848 163.5
[M+CH3COO]- 252.12413 182.6
[M+Na-2H]- 214.08495 146.7
[M]+ 193.10973 140.2
[M]- 193.11083 140.2
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.