CID 54594993

4-(1,3-dioxolan-2-yl)-4-methylhexan-1-amine

Structural Information

Molecular Formula
C10H21NO2
SMILES
CCC(C)(CCCN)C1OCCO1
InChI
InChI=1S/C10H21NO2/c1-3-10(2,5-4-6-11)9-12-7-8-13-9/h9H,3-8,11H2,1-2H3
InChIKey
AEBJQGIHPKWGRJ-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)-4-methylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.15723 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.16451 145.8
[M+Na]+ 210.14645 150.2
[M-H]- 186.14995 149.1
[M+NH4]+ 205.19105 164.1
[M+K]+ 226.12039 151.3
[M+H-H2O]+ 170.15449 140.6
[M+HCOO]- 232.15543 165.1
[M+CH3COO]- 246.17108 183.8
[M+Na-2H]- 208.13190 151.2
[M]+ 187.15668 145.7
[M]- 187.15778 145.7
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.