CID 12463827

Octahydropentalene-2-carboxamide

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

6
Patents

153.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 135.8
[M+Na]+ 176.104588 141.3
[M-H]- 152.108094 139.2
[M+NH4]+ 171.149193 160.6
[M+K]+ 192.078528 139.6
[M+H-H2O]+ 136.112630 130.9
[M+HCOO]- 198.113571 157.0
[M+CH3COO]- 212.129221 177.5
[M+Na-2H]- 174.090036 136.7
[M]+ 153.11482142 130.3
[M]- 153.11591858 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