CID 229296

1-acetamidocyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(=O)NC1(CCCC1)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-6(10)9-8(7(11)12)4-2-3-5-8/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKey
WMLJYVSRHSZWQY-UHFFFAOYSA-N
Compound name
1-acetamidocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

44
Patents

171.08954 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.4
[M+Na]+ 194.078758 142.6
[M-H]- 170.082264 139.3
[M+NH4]+ 189.123363 160.0
[M+K]+ 210.052698 142.0
[M+H-H2O]+ 154.086800 133.0
[M+HCOO]- 216.087741 158.5
[M+CH3COO]- 230.103391 176.3
[M+Na-2H]- 192.064206 140.5
[M]+ 171.08899142 133.9
[M]- 171.09008858 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe