CID 23125015

4-(dimethylcarbamoyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C10H17NO3
SMILES
CN(C)C(=O)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H17NO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKey
LZSWPZWDUZTSDZ-UHFFFAOYSA-N
Compound name
4-(dimethylcarbamoyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

199.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 144.6
[M+Na]+ 222.11007 148.4
[M-H]- 198.11357 147.4
[M+NH4]+ 217.15467 163.2
[M+K]+ 238.08401 148.7
[M+H-H2O]+ 182.11811 138.8
[M+HCOO]- 244.11905 163.6
[M+CH3COO]- 258.13470 187.9
[M+Na-2H]- 220.09552 145.3
[M]+ 199.12030 141.2
[M]- 199.12140 141.2
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