CID 3077696

Brn 4317576

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)NC)O
InChI
InChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-11-12-18(21)16-13-14-17(20-2)19(22)15-16/h13-15,20,22H,3-12H2,1-2H3
InChIKey
QSZXMYWSAYSYEH-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-4-(methylamino)phenyl]dodecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.23547 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.242746 179.1
[M+Na]+ 328.224688 182.6
[M-H]- 304.228194 180.0
[M+NH4]+ 323.269293 193.3
[M+K]+ 344.198628 178.3
[M+H-H2O]+ 288.232730 171.6
[M+HCOO]- 350.233671 199.4
[M+CH3COO]- 364.249321 210.1
[M+Na-2H]- 326.210136 179.0
[M]+ 305.23492142 182.2
[M]- 305.23601858 182.2
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.