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

28
Patents

153.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 135.0
[M+Na]+ 176.104588 142.7
[M-H]- 152.108094 136.7
[M+NH4]+ 171.149193 162.5
[M+K]+ 192.078528 141.1
[M+H-H2O]+ 136.112630 131.5
[M+HCOO]- 198.113571 151.9
[M+CH3COO]- 212.129221 148.2
[M+Na-2H]- 174.090036 138.7
[M]+ 153.11482142 132.4
[M]- 153.11591858 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