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]+ 212.20090 157.0
[M+Na]+ 234.18284 160.7
[M-H]- 210.18634 155.7
[M+NH4]+ 229.22744 175.3
[M+K]+ 250.15678 158.4
[M+H-H2O]+ 194.19088 151.1
[M+HCOO]- 256.19182 177.6
[M+CH3COO]- 270.20747 193.6
[M+Na-2H]- 232.16829 156.9
[M]+ 211.19307 157.8
[M]- 211.19417 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