CID 15818086

180481-87-2

Structural Information

Molecular Formula
C8H13NO
SMILES
CN1C[C@@H]2CCC(=O)[C@@H]2C1
InChI
InChI=1S/C8H13NO/c1-9-4-6-2-3-8(10)7(6)5-9/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
BRYHFQMDNZZHSI-NKWVEPMBSA-N
Compound name
(3aS,6aR)-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 130.5
[M+Na]+ 162.088938 138.6
[M-H]- 138.092444 133.5
[M+NH4]+ 157.133543 155.6
[M+K]+ 178.062878 137.1
[M+H-H2O]+ 122.096980 125.4
[M+HCOO]- 184.097921 151.4
[M+CH3COO]- 198.113571 173.4
[M+Na-2H]- 160.074386 132.8
[M]+ 139.09917142 127.9
[M]- 139.10026858 127.9
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