CID 13492945

578008-82-9

Structural Information

Molecular Formula
C10H23N
SMILES
CC(C)CCCC(C)CCN
InChI
InChI=1S/C10H23N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8,11H2,1-3H3
InChIKey
PPKSYRUVTABEIE-UHFFFAOYSA-N
Compound name
3,7-dimethyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

578
Patents

157.18304 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.19032 143.2
[M+Na]+ 180.17226 147.4
[M-H]- 156.17576 142.3
[M+NH4]+ 175.21686 163.8
[M+K]+ 196.14620 146.7
[M+H-H2O]+ 140.18030 137.9
[M+HCOO]- 202.18124 164.0
[M+CH3COO]- 216.19689 185.2
[M+Na-2H]- 178.15771 144.6
[M]+ 157.18249 142.8
[M]- 157.18359 142.8
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.