CID 21843630

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

Structural Information

Molecular Formula
C6H11NO
SMILES
COCCNCC#C
InChI
InChI=1S/C6H11NO/c1-3-4-7-5-6-8-2/h1,7H,4-6H2,2H3
InChIKey
MFMIMCSNIHXRPA-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 121.1
[M+Na]+ 136.073278 129.8
[M-H]- 112.076784 120.8
[M+NH4]+ 131.117883 141.2
[M+K]+ 152.047218 129.0
[M+H-H2O]+ 96.081320 110.5
[M+HCOO]- 158.082261 140.5
[M+CH3COO]- 172.097911 181.4
[M+Na-2H]- 134.058726 127.9
[M]+ 113.08351142 117.1
[M]- 113.08460858 117.1
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