CID 424588

500881-10-7

Structural Information

Molecular Formula
C10H13NO
SMILES
CCN1CC2=C(C1)C=C(C=C2)O
InChI
InChI=1S/C10H13NO/c1-2-11-6-8-3-4-10(12)5-9(8)7-11/h3-5,12H,2,6-7H2,1H3
InChIKey
HWVCMVGGHIJXRT-UHFFFAOYSA-N
Compound name
2-ethyl-1,3-dihydroisoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 134.2
[M+Na]+ 186.088938 143.1
[M-H]- 162.092444 136.3
[M+NH4]+ 181.133543 156.3
[M+K]+ 202.062878 140.0
[M+H-H2O]+ 146.096980 128.6
[M+HCOO]- 208.097921 155.1
[M+CH3COO]- 222.113571 176.3
[M+Na-2H]- 184.074386 139.7
[M]+ 163.09917142 133.5
[M]- 163.10026858 133.5
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.