CID 73985

6-methylheptan-1-amine

Structural Information

Molecular Formula
C8H19N
SMILES
CC(C)CCCCCN
InChI
InChI=1S/C8H19N/c1-8(2)6-4-3-5-7-9/h8H,3-7,9H2,1-2H3
InChIKey
LPULCTXGGDJCTO-UHFFFAOYSA-N
Compound name
6-methylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1553
Patents

129.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.15903 131.3
[M+Na]+ 152.14097 140.6
[M+NH4]+ 147.18557 139.6
[M+K]+ 168.11491 134.6
[M-H]- 128.14447 131.8
[M+Na-2H]- 150.12642 134.8
[M]+ 129.15120 132.5
[M]- 129.15230 132.5
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