CID 99864

54219-85-1

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCC(CO)NCC1=C(C(=CC(=C1)CC=C)OC)O
InChI
InChI=1S/C15H23NO3/c1-4-6-11-7-12(9-16-13(5-2)10-17)15(18)14(8-11)19-3/h4,7-8,13,16-18H,1,5-6,9-10H2,2-3H3
InChIKey
VQZVKMGNFWZVAW-UHFFFAOYSA-N
Compound name
2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.9
[M+Na]+ 288.15702 169.6
[M-H]- 264.16052 164.6
[M+NH4]+ 283.20162 179.3
[M+K]+ 304.13096 166.0
[M+H-H2O]+ 248.16506 157.4
[M+HCOO]- 310.16600 184.2
[M+CH3COO]- 324.18165 199.0
[M+Na-2H]- 286.14247 164.8
[M]+ 265.16725 165.6
[M]- 265.16835 165.6
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.