CID 12477953

69917-79-9

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(CNC)(C=C)O
InChI
InChI=1S/C6H13NO/c1-4-6(2,8)5-7-3/h4,7-8H,1,5H2,2-3H3
InChIKey
ZJMNOEAMIPHERS-UHFFFAOYSA-N
Compound name
2-methyl-1-(methylamino)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.2
[M+Na]+ 138.088938 131.9
[M-H]- 114.092444 124.4
[M+NH4]+ 133.133543 147.1
[M+K]+ 154.062878 130.9
[M+H-H2O]+ 98.096980 121.4
[M+HCOO]- 160.097921 147.4
[M+CH3COO]- 174.113571 170.6
[M+Na-2H]- 136.074386 132.6
[M]+ 115.09917142 124.0
[M]- 115.10026858 124.0
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

No patent data available for this compound.