CID 15217361

146322-08-9

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(CC1=CC2=C(C=C1)OCO2)/C=N/O
InChI
InChI=1S/C11H13NO3/c1-8(6-12-13)4-9-2-3-10-11(5-9)15-7-14-10/h2-3,5-6,8,13H,4,7H2,1H3/b12-6+
InChIKey
ISLHQWBNLXYVQG-WUXMJOGZSA-N
Compound name
(NE)-N-[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

207.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.6
[M+Na]+ 230.078758 151.7
[M-H]- 206.082264 150.3
[M+NH4]+ 225.123363 163.4
[M+K]+ 246.052698 152.0
[M+H-H2O]+ 190.086800 139.0
[M+HCOO]- 252.087741 166.7
[M+CH3COO]- 266.103391 186.7
[M+Na-2H]- 228.064206 151.7
[M]+ 207.08899142 147.1
[M]- 207.09008858 147.1
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

No patent data available for this compound.