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

15
Patents

253.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 161.2
[M+Na]+ 276.157018 166.0
[M-H]- 252.160524 163.3
[M+NH4]+ 271.201623 177.5
[M+K]+ 292.130958 165.2
[M+H-H2O]+ 236.165060 154.6
[M+HCOO]- 298.166001 181.2
[M+CH3COO]- 312.181651 199.8
[M+Na-2H]- 274.142466 161.3
[M]+ 253.16725142 163.4
[M]- 253.16834858 163.4
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