CID 6080

N-isopropylmethoxamine

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)NC(C)C(C1=C(C=CC(=C1)OC)OC)O
InChI
InChI=1S/C14H23NO3/c1-9(2)15-10(3)14(16)12-8-11(17-4)6-7-13(12)18-5/h6-10,14-16H,1-5H3
InChIKey
YZXKGCIDSYWQIV-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16
Patents

253.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 160.6
[M+Na]+ 276.15702 169.9
[M+NH4]+ 271.20162 167.0
[M+K]+ 292.13096 165.8
[M-H]- 252.16052 161.4
[M+Na-2H]- 274.14247 164.1
[M]+ 253.16725 161.8
[M]- 253.16835 161.8
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