CID 12717520

(but-3-en-1-yl)(methyl)amine

Structural Information

Molecular Formula
C5H11N
SMILES
CNCCC=C
InChI
InChI=1S/C5H11N/c1-3-4-5-6-2/h3,6H,1,4-5H2,2H3
InChIKey
QKWULNOMHKBBLA-UHFFFAOYSA-N
Compound name
N-methylbut-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

480
Patents

85.08915 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.096426 116.6
[M+Na]+ 108.07837 123.7
[M-H]- 84.081874 117.1
[M+NH4]+ 103.12297 140.4
[M+K]+ 124.05231 123.2
[M+H-H2O]+ 68.086410 112.3
[M+HCOO]- 130.08735 142.0
[M+CH3COO]- 144.10300 168.0
[M+Na-2H]- 106.06382 124.6
[M]+ 85.088601 116.0
[M]- 85.089699 116.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe