CID 11672793

1-acetamidocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(=O)NC1(CCCCC1)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-7(11)10-9(8(12)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKey
APYLGUGGCARYFQ-UHFFFAOYSA-N
Compound name
1-acetamidocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.1
[M+Na]+ 208.09442 145.1
[M-H]- 184.09792 142.6
[M+NH4]+ 203.13902 161.3
[M+K]+ 224.06836 144.5
[M+H-H2O]+ 168.10246 136.3
[M+HCOO]- 230.10340 159.9
[M+CH3COO]- 244.11905 179.7
[M+Na-2H]- 206.07987 144.9
[M]+ 185.10465 136.0
[M]- 185.10575 136.0
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