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]+ 194.117556 141.0
[M+Na]+ 216.099498 149.4
[M-H]- 192.103004 144.2
[M+NH4]+ 211.144103 164.5
[M+K]+ 232.073438 146.4
[M+H-H2O]+ 176.107540 136.4
[M+HCOO]- 238.108481 163.5
[M+CH3COO]- 252.124131 182.6
[M+Na-2H]- 214.084946 146.7
[M]+ 193.10973142 140.2
[M]- 193.11082858 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.