CID 3652799

93114-03-5

Structural Information

Molecular Formula
C9H15NO
SMILES
CC12CCC(O1)C3C2CNC3
InChI
InChI=1S/C9H15NO/c1-9-3-2-8(11-9)6-4-10-5-7(6)9/h6-8,10H,2-5H2,1H3
InChIKey
FYLPMLURDDXKQU-UHFFFAOYSA-N
Compound name
7-methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

153.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 135.0
[M+Na]+ 176.10459 142.7
[M-H]- 152.10809 136.7
[M+NH4]+ 171.14919 162.5
[M+K]+ 192.07853 141.1
[M+H-H2O]+ 136.11263 131.5
[M+HCOO]- 198.11357 151.9
[M+CH3COO]- 212.12922 148.2
[M+Na-2H]- 174.09004 138.7
[M]+ 153.11482 132.4
[M]- 153.11592 132.4
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

patents stripe