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]+ 164.10700 134.2
[M+Na]+ 186.08894 143.1
[M-H]- 162.09244 136.3
[M+NH4]+ 181.13354 156.3
[M+K]+ 202.06288 140.0
[M+H-H2O]+ 146.09698 128.6
[M+HCOO]- 208.09792 155.1
[M+CH3COO]- 222.11357 176.3
[M+Na-2H]- 184.07439 139.7
[M]+ 163.09917 133.5
[M]- 163.10027 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.