CID 3016638

Einecs 257-089-6

Structural Information

Molecular Formula
C13H25NO
SMILES
CC1CCCCC1(C(C)C)C(=O)N(C)C
InChI
InChI=1S/C13H25NO/c1-10(2)13(12(15)14(4)5)9-7-6-8-11(13)3/h10-11H,6-9H2,1-5H3
InChIKey
ZNXSLRIBKWBICP-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-1-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.19362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.200896 151.8
[M+Na]+ 234.182838 155.5
[M-H]- 210.186344 155.9
[M+NH4]+ 229.227443 173.0
[M+K]+ 250.156778 155.9
[M+H-H2O]+ 194.190880 146.6
[M+HCOO]- 256.191821 170.7
[M+CH3COO]- 270.207471 195.8
[M+Na-2H]- 232.168286 152.6
[M]+ 211.19307142 149.5
[M]- 211.19416858 149.5
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

No patent data available for this compound.