CID 1538609

4-methylhepta-1,6-dien-4-amine

Structural Information

Molecular Formula
C8H15N
SMILES
CC(CC=C)(CC=C)N
InChI
InChI=1S/C8H15N/c1-4-6-8(3,9)7-5-2/h4-5H,1-2,6-7,9H2,3H3
InChIKey
LISDOJRNQJDFDI-UHFFFAOYSA-N
Compound name
4-methylhepta-1,6-dien-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

125.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 129.4
[M+Na]+ 148.109668 136.0
[M-H]- 124.113174 129.1
[M+NH4]+ 143.154273 151.3
[M+K]+ 164.083608 134.0
[M+H-H2O]+ 108.117710 125.2
[M+HCOO]- 170.118651 151.7
[M+CH3COO]- 184.134301 175.7
[M+Na-2H]- 146.095116 135.2
[M]+ 125.11990142 127.7
[M]- 125.12099858 127.7
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