CID 3016104

Einecs 254-577-0

Structural Information

Molecular Formula
C13H25NO
SMILES
CC1CCC(C(C1)C(=O)N(C)C)C(C)C
InChI
InChI=1S/C13H25NO/c1-9(2)11-7-6-10(3)8-12(11)13(15)14(4)5/h9-12H,6-8H2,1-5H3
InChIKey
SBQWUJVATMNCKQ-UHFFFAOYSA-N
Compound name
N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

211.19362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.200896 152.4
[M+Na]+ 234.182838 156.2
[M-H]- 210.186344 156.6
[M+NH4]+ 229.227443 171.9
[M+K]+ 250.156778 156.2
[M+H-H2O]+ 194.190880 146.5
[M+HCOO]- 256.191821 171.3
[M+CH3COO]- 270.207471 197.5
[M+Na-2H]- 232.168286 151.3
[M]+ 211.19307142 150.2
[M]- 211.19416858 150.2
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