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

29
Patents

199.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 144.6
[M+Na]+ 222.110068 148.4
[M-H]- 198.113574 147.4
[M+NH4]+ 217.154673 163.2
[M+K]+ 238.084008 148.7
[M+H-H2O]+ 182.118110 138.8
[M+HCOO]- 244.119051 163.6
[M+CH3COO]- 258.134701 187.9
[M+Na-2H]- 220.095516 145.3
[M]+ 199.12030142 141.2
[M]- 199.12139858 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