CID 91874

N-ethyl-1-isopropylcycloheptanecarboxamide

Structural Information

Molecular Formula
C13H25NO
SMILES
CCNC(=O)C1(CCCCCC1)C(C)C
InChI
InChI=1S/C13H25NO/c1-4-14-12(15)13(11(2)3)9-7-5-6-8-10-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKey
SIXMZXVQNHSLMO-UHFFFAOYSA-N
Compound name
N-ethyl-1-propan-2-ylcycloheptane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

211.19362 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.200896 148.1
[M+Na]+ 234.182838 148.8
[M-H]- 210.186344 151.4
[M+NH4]+ 229.227443 166.7
[M+K]+ 250.156778 151.9
[M+H-H2O]+ 194.190880 142.9
[M+HCOO]- 256.191821 165.7
[M+CH3COO]- 270.207471 192.3
[M+Na-2H]- 232.168286 150.0
[M]+ 211.19307142 141.0
[M]- 211.19416858 141.0
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.