CID 3123920

7695-63-8

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)NCC(COC1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChIKey
ONXLHKFGTDDVLQ-UHFFFAOYSA-N
Compound name
1-phenoxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

41
Patents

209.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.8
[M+Na]+ 232.13081 153.9
[M-H]- 208.13431 151.3
[M+NH4]+ 227.17541 167.3
[M+K]+ 248.10475 152.3
[M+H-H2O]+ 192.13885 143.2
[M+HCOO]- 254.13979 171.3
[M+CH3COO]- 268.15544 188.4
[M+Na-2H]- 230.11626 153.5
[M]+ 209.14104 149.7
[M]- 209.14214 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe