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

76
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

literature stripe

Patent stripe

patents stripe