CID 62947718

N-cyclopentyl-3-methoxypropanamide

Structural Information

Molecular Formula
C9H17NO2
SMILES
COCCC(=O)NC1CCCC1
InChI
InChI=1S/C9H17NO2/c1-12-7-6-9(11)10-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11)
InChIKey
RQYGHUVAVDHACS-UHFFFAOYSA-N
Compound name
N-cyclopentyl-3-methoxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.12593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.2
[M+Na]+ 194.11515 144.5
[M-H]- 170.11865 142.8
[M+NH4]+ 189.15975 161.6
[M+K]+ 210.08909 144.0
[M+H-H2O]+ 154.12319 134.2
[M+HCOO]- 216.12413 163.1
[M+CH3COO]- 230.13978 180.3
[M+Na-2H]- 192.10060 143.1
[M]+ 171.12538 138.5
[M]- 171.12648 138.5
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