CID 12238050

(2-methoxyethyl)(prop-2-en-1-yl)amine

Structural Information

Molecular Formula
C6H13NO
SMILES
COCCNCC=C
InChI
InChI=1S/C6H13NO/c1-3-4-7-5-6-8-2/h3,7H,1,4-6H2,2H3
InChIKey
VMKXOTJJMSFGPO-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.3
[M+Na]+ 138.088938 130.9
[M-H]- 114.092444 124.5
[M+NH4]+ 133.133543 146.8
[M+K]+ 154.062878 130.6
[M+H-H2O]+ 98.096980 119.5
[M+HCOO]- 160.097921 149.6
[M+CH3COO]- 174.113571 173.0
[M+Na-2H]- 136.074386 131.7
[M]+ 115.09917142 125.5
[M]- 115.10026858 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe