CID 1795901

2,2,5-trimethylhex-4-en-1-amine

Structural Information

Molecular Formula
C9H19N
SMILES
CC(=CCC(C)(C)CN)C
InChI
InChI=1S/C9H19N/c1-8(2)5-6-9(3,4)7-10/h5H,6-7,10H2,1-4H3
InChIKey
VUCWLESVOGRTBE-UHFFFAOYSA-N
Compound name
2,2,5-trimethylhex-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 135.9
[M+Na]+ 164.14097 141.7
[M-H]- 140.14447 135.6
[M+NH4]+ 159.18557 157.4
[M+K]+ 180.11491 140.6
[M+H-H2O]+ 124.14901 131.6
[M+HCOO]- 186.14995 156.8
[M+CH3COO]- 200.16560 179.9
[M+Na-2H]- 162.12642 139.9
[M]+ 141.15120 134.6
[M]- 141.15230 134.6
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.