CID 24221

Sas 513

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C(CNCCCOC)O)OC1=CC=CC=C1
InChI
InChI=1S/C14H23NO3/c1-12(18-13-7-4-3-5-8-13)14(16)11-15-9-6-10-17-2/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3
InChIKey
GGNGMTHUWLMRPQ-UHFFFAOYSA-N
Compound name
1-(3-methoxypropylamino)-3-phenoxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

253.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 161.8
[M+Na]+ 276.157018 164.9
[M-H]- 252.160524 162.9
[M+NH4]+ 271.201623 177.4
[M+K]+ 292.130958 163.4
[M+H-H2O]+ 236.165060 154.5
[M+HCOO]- 298.166001 182.8
[M+CH3COO]- 312.181651 196.4
[M+Na-2H]- 274.142466 164.5
[M]+ 253.16725142 163.8
[M]- 253.16834858 163.8
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