CID 178200160

Methyl 3-formyl-4,5,6,7-tetrahydro-2h-isoindole-1-carboxylate

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)C1=C2CCCCC2=C(N1)C=O
InChI
InChI=1S/C11H13NO3/c1-15-11(14)10-8-5-3-2-4-7(8)9(6-13)12-10/h6,12H,2-5H2,1H3
InChIKey
KOWMBVDGDYXFOC-UHFFFAOYSA-N
Compound name
methyl 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.8
[M+Na]+ 230.078758 152.2
[M-H]- 206.082264 146.4
[M+NH4]+ 225.123363 164.6
[M+K]+ 246.052698 149.5
[M+H-H2O]+ 190.086800 138.9
[M+HCOO]- 252.087741 163.6
[M+CH3COO]- 266.103391 182.4
[M+Na-2H]- 228.064206 147.6
[M]+ 207.08899142 143.7
[M]- 207.09008858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.