CID 81014346

3,3-dimethylhept-6-en-1-amine

Structural Information

Molecular Formula
C9H19N
SMILES
CC(C)(CCC=C)CCN
InChI
InChI=1S/C9H19N/c1-4-5-6-9(2,3)7-8-10/h4H,1,5-8,10H2,2-3H3
InChIKey
FBYYBYYFDBPZJV-UHFFFAOYSA-N
Compound name
3,3-dimethylhept-6-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.159026 135.5
[M+Na]+ 164.140968 141.5
[M-H]- 140.144474 135.1
[M+NH4]+ 159.185573 157.0
[M+K]+ 180.114908 139.9
[M+H-H2O]+ 124.149010 131.1
[M+HCOO]- 186.149951 157.4
[M+CH3COO]- 200.165601 179.8
[M+Na-2H]- 162.126416 140.8
[M]+ 141.15120142 135.0
[M]- 141.15229858 135.0
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.