CID 18548974

220699-99-0

Structural Information

Molecular Formula
C7H13NO
SMILES
CN(CCOC)CC#C
InChI
InChI=1S/C7H13NO/c1-4-5-8(2)6-7-9-3/h1H,5-7H2,2-3H3
InChIKey
ODTQGXAPSKBFFW-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 124.9
[M+Na]+ 150.088938 133.5
[M-H]- 126.092444 125.8
[M+NH4]+ 145.133543 145.2
[M+K]+ 166.062878 133.5
[M+H-H2O]+ 110.096980 113.9
[M+HCOO]- 172.097921 144.5
[M+CH3COO]- 186.113571 187.3
[M+Na-2H]- 148.074386 130.5
[M]+ 127.09917142 122.4
[M]- 127.10026858 122.4
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