CID 85626

Einecs 240-922-2

Structural Information

Molecular Formula
C8H16N2
SMILES
CC(=NCCN=C(C)C)C
InChI
InChI=1S/C8H16N2/c1-7(2)9-5-6-10-8(3)4/h5-6H2,1-4H3
InChIKey
KWAQMTIQRQEKCQ-UHFFFAOYSA-N
Compound name
N-[2-(propan-2-ylideneamino)ethyl]propan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

140.13135 Da
Monoisotopic Mass

-0.1
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