CID 44151842

71673-10-4

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCN(CC(CO)O)C1=CC(=C(C=C1)C=O)C
InChI
InChI=1S/C13H19NO3/c1-3-14(7-13(17)9-16)12-5-4-11(8-15)10(2)6-12/h4-6,8,13,16-17H,3,7,9H2,1-2H3
InChIKey
ZRZWVZDWBPWMTE-UHFFFAOYSA-N
Compound name
4-[2,3-dihydroxypropyl(ethyl)amino]-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.0
[M+Na]+ 260.12571 160.8
[M-H]- 236.12921 157.2
[M+NH4]+ 255.17031 171.9
[M+K]+ 276.09965 159.1
[M+H-H2O]+ 220.13375 148.6
[M+HCOO]- 282.13469 176.6
[M+CH3COO]- 296.15034 195.0
[M+Na-2H]- 258.11116 156.9
[M]+ 237.13594 156.8
[M]- 237.13704 156.8
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