CID 5466587

(4e)-4-hexen-1-amine

Structural Information

Molecular Formula
C6H13N
SMILES
C/C=C/CCCN
InChI
InChI=1S/C6H13N/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+
InChIKey
AZJUGPLDDAZZTB-NSCUHMNNSA-N
Compound name
(E)-hex-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

99.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 122.0
[M+Na]+ 122.09402 128.7
[M-H]- 98.097524 121.8
[M+NH4]+ 117.13862 145.0
[M+K]+ 138.06796 127.6
[M+H-H2O]+ 82.102060 117.5
[M+HCOO]- 144.10300 146.3
[M+CH3COO]- 158.11865 169.7
[M+Na-2H]- 120.07947 128.3
[M]+ 99.104251 120.6
[M]- 99.105349 120.6
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

No patent data available for this compound.