CID 91819973

3-aminotridec-2-en-4-one

Structural Information

Molecular Formula
C13H25NO
SMILES
CCCCCCCCCC(=O)/C(=C/C)/N
InChI
InChI=1S/C13H25NO/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h4H,3,5-11,14H2,1-2H3/b12-4-
InChIKey
AEFOOMVSTFFCHM-QCDXTXTGSA-N
Compound name
(Z)-3-aminotridec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

211.19362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.200896 157.0
[M+Na]+ 234.182838 160.7
[M-H]- 210.186344 155.7
[M+NH4]+ 229.227443 175.3
[M+K]+ 250.156778 158.4
[M+H-H2O]+ 194.190880 151.1
[M+HCOO]- 256.191821 177.6
[M+CH3COO]- 270.207471 193.6
[M+Na-2H]- 232.168286 156.9
[M]+ 211.19307142 157.8
[M]- 211.19416858 157.8
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