CID 12463827

90942-63-5

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CC2CC(CC2C1)C(=O)N
InChI
InChI=1S/C9H15NO/c10-9(11)8-4-6-2-1-3-7(6)5-8/h6-8H,1-5H2,(H2,10,11)
InChIKey
AWMLRBVKGHLMBX-UHFFFAOYSA-N
Compound name
1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

153.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 135.8
[M+Na]+ 176.10459 141.3
[M-H]- 152.10809 139.2
[M+NH4]+ 171.14919 160.6
[M+K]+ 192.07853 139.6
[M+H-H2O]+ 136.11263 130.9
[M+HCOO]- 198.11357 157.0
[M+CH3COO]- 212.12922 177.5
[M+Na-2H]- 174.09004 136.7
[M]+ 153.11482 130.3
[M]- 153.11592 130.3
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