CID 129318333

82961-02-2

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C=COC)O
InChI
InChI=1S/C15H23NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-9,12,14,16-17H,10-11H2,1-3H3
InChIKey
MGUWWYDYCIZGNU-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 165.0
[M+Na]+ 288.15702 169.1
[M-H]- 264.16052 166.4
[M+NH4]+ 283.20162 180.5
[M+K]+ 304.13096 166.8
[M+H-H2O]+ 248.16506 157.9
[M+HCOO]- 310.16600 185.9
[M+CH3COO]- 324.18165 199.1
[M+Na-2H]- 286.14247 166.5
[M]+ 265.16725 167.0
[M]- 265.16835 167.0
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