CID 202050

Hex-5-en-2-amine

Structural Information

Molecular Formula
C6H13N
SMILES
CC(CCC=C)N
InChI
InChI=1S/C6H13N/c1-3-4-5-6(2)7/h3,6H,1,4-5,7H2,2H3
InChIKey
PBEJOEYAKXHDJT-UHFFFAOYSA-N
Compound name
hex-5-en-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

183
Patents

99.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 122.5
[M+Na]+ 122.09402 128.9
[M-H]- 98.097524 122.3
[M+NH4]+ 117.13862 145.3
[M+K]+ 138.06796 128.2
[M+H-H2O]+ 82.102060 118.0
[M+HCOO]- 144.10300 145.8
[M+CH3COO]- 158.11865 171.2
[M+Na-2H]- 120.07947 127.5
[M]+ 99.104251 120.5
[M]- 99.105349 120.5
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