CID 14008167

5-methylhex-4-en-1-amine

Structural Information

Molecular Formula
C7H15N
SMILES
CC(=CCCCN)C
InChI
InChI=1S/C7H15N/c1-7(2)5-3-4-6-8/h5H,3-4,6,8H2,1-2H3
InChIKey
OYSHHNWQHGPFJP-UHFFFAOYSA-N
Compound name
5-methylhex-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

113.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 127.3
[M+Na]+ 136.10967 133.4
[M-H]- 112.11317 127.1
[M+NH4]+ 131.15427 149.7
[M+K]+ 152.08361 132.5
[M+H-H2O]+ 96.117710 122.7
[M+HCOO]- 158.11865 150.4
[M+CH3COO]- 172.13430 173.5
[M+Na-2H]- 134.09512 131.8
[M]+ 113.11990 125.7
[M]- 113.12100 125.7
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