CID 3016620

93942-74-6

Structural Information

Molecular Formula
C13H25NO
SMILES
CCNC(=O)C1(CCCCC1C)C(C)C
InChI
InChI=1S/C13H25NO/c1-5-14-12(15)13(10(2)3)9-7-6-8-11(13)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKey
BSMQCLSXMDMBAV-UHFFFAOYSA-N
Compound name
N-ethyl-2-methyl-1-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.19362 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.200896 152.9
[M+Na]+ 234.182838 156.4
[M-H]- 210.186344 155.5
[M+NH4]+ 229.227443 173.4
[M+K]+ 250.156778 155.3
[M+H-H2O]+ 194.190880 147.7
[M+HCOO]- 256.191821 171.2
[M+CH3COO]- 270.207471 192.3
[M+Na-2H]- 232.168286 154.3
[M]+ 211.19307142 149.2
[M]- 211.19416858 149.2
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