CID 43370476

2,2-dimethyloctan-3-amine

Structural Information

Molecular Formula
C10H23N
SMILES
CCCCCC(C(C)(C)C)N
InChI
InChI=1S/C10H23N/c1-5-6-7-8-9(11)10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKey
ULCUGADHARAVOX-UHFFFAOYSA-N
Compound name
2,2-dimethyloctan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
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 142.2
[M+Na]+ 180.17226 147.2
[M-H]- 156.17576 141.6
[M+NH4]+ 175.21686 163.1
[M+K]+ 196.14620 146.5
[M+H-H2O]+ 140.18030 137.6
[M+HCOO]- 202.18124 162.5
[M+CH3COO]- 216.19689 183.9
[M+Na-2H]- 178.15771 145.6
[M]+ 157.18249 141.9
[M]- 157.18359 141.9
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

patents stripe