CID 5190226

91340-74-8

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)NO
InChI
InChI=1S/C11H17NO3/c1-8(12-13)6-9-4-5-10(14-2)11(7-9)15-3/h4-5,7-8,12-13H,6H2,1-3H3
InChIKey
QESZBOZKJCHKCL-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

211.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 146.8
[M+Na]+ 234.11007 153.5
[M-H]- 210.11357 149.3
[M+NH4]+ 229.15467 164.9
[M+K]+ 250.08401 152.3
[M+H-H2O]+ 194.11811 140.6
[M+HCOO]- 256.11905 169.9
[M+CH3COO]- 270.13470 188.9
[M+Na-2H]- 232.09552 151.0
[M]+ 211.12030 149.2
[M]- 211.12140 149.2
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