CID 166921

13822-06-5

Structural Information

Molecular Formula
C5H11N
SMILES
CC(=CCN)C
InChI
InChI=1S/C5H11N/c1-5(2)3-4-6/h3H,4,6H2,1-2H3
InChIKey
PFCBHFDNVFQUJI-UHFFFAOYSA-N
Compound name
3-methylbut-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1217
Patents

85.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.096426 118.1
[M+Na]+ 108.07837 125.0
[M-H]- 84.081874 118.1
[M+NH4]+ 103.12297 141.6
[M+K]+ 124.05231 124.6
[M+H-H2O]+ 68.086410 113.8
[M+HCOO]- 130.08735 141.8
[M+CH3COO]- 144.10300 167.4
[M+Na-2H]- 106.06382 123.6
[M]+ 85.088601 115.6
[M]- 85.089699 115.6
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