CID 135417392

59904-67-5

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC(CCO)N=CC1=C(C2=CC=CC=C2C1=O)O
InChI
InChI=1S/C14H15NO3/c1-9(6-7-16)15-8-12-13(17)10-4-2-3-5-11(10)14(12)18/h2-5,8-9,16-17H,6-7H2,1H3
InChIKey
VLWXJNOHJGPSRU-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(4-hydroxybutan-2-yliminomethyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 154.4
[M+Na]+ 268.09442 162.6
[M-H]- 244.09792 158.1
[M+NH4]+ 263.13902 174.1
[M+K]+ 284.06836 158.9
[M+H-H2O]+ 228.10246 148.8
[M+HCOO]- 290.10340 177.5
[M+CH3COO]- 304.11905 194.3
[M+Na-2H]- 266.07987 157.5
[M]+ 245.10465 156.4
[M]- 245.10575 156.4
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.