CID 62907

39711-79-0

Structural Information

Molecular Formula
C13H25NO
SMILES
CCNC(=O)C1CC(CCC1C(C)C)C
InChI
InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKey
VUNOFAIHSALQQH-UHFFFAOYSA-N
Compound name
N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

9766
Patents

211.19362 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.20090 153.5
[M+Na]+ 234.18284 157.0
[M-H]- 210.18634 156.1
[M+NH4]+ 229.22744 172.2
[M+K]+ 250.15678 155.6
[M+H-H2O]+ 194.19088 147.6
[M+HCOO]- 256.19182 171.7
[M+CH3COO]- 270.20747 193.9
[M+Na-2H]- 232.16829 152.9
[M]+ 211.19307 149.9
[M]- 211.19417 149.9
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