CID 12477953

2-methyl-1-(methylamino)-3-buten-2-ol

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]+ 116.10700 125.2
[M+Na]+ 138.08894 131.9
[M-H]- 114.09244 124.4
[M+NH4]+ 133.13354 147.1
[M+K]+ 154.06288 130.9
[M+H-H2O]+ 98.096980 121.4
[M+HCOO]- 160.09792 147.4
[M+CH3COO]- 174.11357 170.6
[M+Na-2H]- 136.07439 132.6
[M]+ 115.09917 124.0
[M]- 115.10027 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.