CID 5822195

(e)-n,n,n',n'-tetramethylbut-2-enediamide

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CN(C)C(=O)/C=C/C(=O)N(C)C
InChI
InChI=1S/C8H14N2O2/c1-9(2)7(11)5-6-8(12)10(3)4/h5-6H,1-4H3/b6-5+
InChIKey
KBRJTGNCPIFGFI-AATRIKPKSA-N
Compound name
(E)-N,N,N',N'-tetramethylbut-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

170.10553 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 138.6
[M+Na]+ 193.09475 144.3
[M-H]- 169.09825 141.8
[M+NH4]+ 188.13935 159.8
[M+K]+ 209.06869 146.4
[M+H-H2O]+ 153.10279 132.8
[M+HCOO]- 215.10373 164.0
[M+CH3COO]- 229.11938 190.9
[M+Na-2H]- 191.08020 141.1
[M]+ 170.10498 140.8
[M]- 170.10608 140.8
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