CID 5492886

Methyl ethyl ketone azine

Structural Information

Molecular Formula
C8H16N2
SMILES
CC/C(=N/N=C(/C)\CC)/C
InChI
InChI=1S/C8H16N2/c1-5-7(3)9-10-8(4)6-2/h5-6H2,1-4H3/b9-7-,10-8+
InChIKey
LAWAERKRWYQEEN-FKJILZIQSA-N
Compound name
(E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

140.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 133.7
[M+Na]+ 163.12057 139.5
[M-H]- 139.12407 136.7
[M+NH4]+ 158.16517 156.3
[M+K]+ 179.09451 140.3
[M+H-H2O]+ 123.12861 128.0
[M+HCOO]- 185.12955 160.2
[M+CH3COO]- 199.14520 186.8
[M+Na-2H]- 161.10602 138.6
[M]+ 140.13080 135.1
[M]- 140.13190 135.1
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