CID 135416870

40461-95-8

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC(C)N=CC1=C(C2=CC=CC=C2C1=O)O
InChI
InChI=1S/C13H13NO2/c1-8(2)14-7-11-12(15)9-5-3-4-6-10(9)13(11)16/h3-8,15H,1-2H3
InChIKey
PWGWMEJKKNETTF-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(propan-2-yliminomethyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

215.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 146.4
[M+Na]+ 238.083858 155.6
[M-H]- 214.087364 151.7
[M+NH4]+ 233.128463 168.2
[M+K]+ 254.057798 152.4
[M+H-H2O]+ 198.091900 140.9
[M+HCOO]- 260.092841 171.1
[M+CH3COO]- 274.108491 191.6
[M+Na-2H]- 236.069306 150.4
[M]+ 215.09409142 148.5
[M]- 215.09518858 148.5
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

patents stripe