CID 15609892

(2e,7z)-n-isobutyl-2,7-tridecadiene-10,12-diynamide

Structural Information

Molecular Formula
C17H23NO
SMILES
CC(C)CNC(=O)/C=C/CCC/C=C\CC#CC#C
InChI
InChI=1S/C17H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h1,8-9,13-14,16H,7,10-12,15H2,2-3H3,(H,18,19)/b9-8-,14-13+
InChIKey
AUFSPNOHXVRCBY-NRSBDZSJSA-N
Compound name
(2E,7Z)-N-(2-methylpropyl)trideca-2,7-dien-10,12-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.17798 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 170.8
[M+Na]+ 280.16720 177.8
[M-H]- 256.17070 170.8
[M+NH4]+ 275.21180 181.7
[M+K]+ 296.14114 173.1
[M+H-H2O]+ 240.17524 156.5
[M+HCOO]- 302.17618 178.7
[M+CH3COO]- 316.19183 220.3
[M+Na-2H]- 278.15265 168.5
[M]+ 257.17743 163.1
[M]- 257.17853 163.1
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