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

2
Patents

253.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 161.8
[M+Na]+ 276.15702 164.9
[M-H]- 252.16052 162.9
[M+NH4]+ 271.20162 177.4
[M+K]+ 292.13096 163.4
[M+H-H2O]+ 236.16506 154.5
[M+HCOO]- 298.16600 182.8
[M+CH3COO]- 312.18165 196.4
[M+Na-2H]- 274.14247 164.5
[M]+ 253.16725 163.8
[M]- 253.16835 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