CID 642327

2,2-dimethylhept-6-en-1-amine

Structural Information

Molecular Formula
C9H19N
SMILES
CC(C)(CCCC=C)CN
InChI
InChI=1S/C9H19N/c1-4-5-6-7-9(2,3)8-10/h4H,1,5-8,10H2,2-3H3
InChIKey
ZYOKJMUGKKLDBC-UHFFFAOYSA-N
Compound name
2,2-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]+ 142.15903 135.5
[M+Na]+ 164.14097 141.5
[M-H]- 140.14447 135.1
[M+NH4]+ 159.18557 157.0
[M+K]+ 180.11491 139.9
[M+H-H2O]+ 124.14901 131.1
[M+HCOO]- 186.14995 157.4
[M+CH3COO]- 200.16560 179.8
[M+Na-2H]- 162.12642 140.8
[M]+ 141.15120 135.0
[M]- 141.15230 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

literature stripe

Patent stripe

No patent data available for this compound.