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

5
Patents

139.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.5
[M+Na]+ 162.08894 138.6
[M-H]- 138.09244 133.5
[M+NH4]+ 157.13354 155.6
[M+K]+ 178.06288 137.1
[M+H-H2O]+ 122.09698 125.4
[M+HCOO]- 184.09792 151.4
[M+CH3COO]- 198.11357 173.4
[M+Na-2H]- 160.07439 132.8
[M]+ 139.09917 127.9
[M]- 139.10027 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