CID 62548500

N-(2-methoxyethyl)but-3-en-1-amine

Structural Information

Molecular Formula
C7H15NO
SMILES
COCCNCCC=C
InChI
InChI=1S/C7H15NO/c1-3-4-5-8-6-7-9-2/h3,8H,1,4-7H2,2H3
InChIKey
ZLALHXAWUHSBSJ-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)but-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

129.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.9
[M+Na]+ 152.104588 135.1
[M-H]- 128.108094 129.0
[M+NH4]+ 147.149193 150.8
[M+K]+ 168.078528 134.5
[M+H-H2O]+ 112.112630 123.9
[M+HCOO]- 174.113571 153.8
[M+CH3COO]- 188.129221 176.1
[M+Na-2H]- 150.090036 135.7
[M]+ 129.11482142 130.5
[M]- 129.11591858 130.5
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