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

7
Patents

129.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.9
[M+Na]+ 152.10459 135.1
[M-H]- 128.10809 129.0
[M+NH4]+ 147.14919 150.8
[M+K]+ 168.07853 134.5
[M+H-H2O]+ 112.11263 123.9
[M+HCOO]- 174.11357 153.8
[M+CH3COO]- 188.12922 176.1
[M+Na-2H]- 150.09004 135.7
[M]+ 129.11482 130.5
[M]- 129.11592 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