CID 6713451

Pent-4-en-2-amine hydrochloride

Structural Information

Molecular Formula
C5H11N
SMILES
CC(CC=C)N
InChI
InChI=1S/C5H11N/c1-3-4-5(2)6/h3,5H,1,4,6H2,2H3
InChIKey
BPIDLOWRIYHHBQ-UHFFFAOYSA-N
Compound name
pent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
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 117.4
[M+Na]+ 108.07837 127.3
[M+NH4]+ 103.12297 125.9
[M+K]+ 124.05231 121.9
[M-H]- 84.081874 117.7
[M+Na-2H]- 106.06382 121.6
[M]+ 85.088601 118.6
[M]- 85.089699 118.6
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