CID 11658617

Fema no. 4267, e-

Structural Information

Molecular Formula
C14H23NO
SMILES
CC(=CCC/C(=C/CNC(=O)C1CC1)/C)C
InChI
InChI=1S/C14H23NO/c1-11(2)5-4-6-12(3)9-10-15-14(16)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,15,16)/b12-9+
InChIKey
UKNMSFRSBQONET-FMIVXFBMSA-N
Compound name
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

113
Patents

221.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 154.3
[M+Na]+ 244.16718 159.8
[M-H]- 220.17068 158.0
[M+NH4]+ 239.21178 167.7
[M+K]+ 260.14112 156.0
[M+H-H2O]+ 204.17522 147.7
[M+HCOO]- 266.17616 175.0
[M+CH3COO]- 280.19181 197.0
[M+Na-2H]- 242.15263 154.7
[M]+ 221.17741 156.3
[M]- 221.17851 156.3
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