CID 10844952

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

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)(CCCN)C1OCCO1
InChI
InChI=1S/C9H19NO2/c1-9(2,4-3-5-10)8-11-6-7-12-8/h8H,3-7,10H2,1-2H3
InChIKey
OWSLUTRBACVVDT-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)-4-methylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 141.1
[M+Na]+ 196.130808 145.9
[M-H]- 172.134314 144.6
[M+NH4]+ 191.175413 159.9
[M+K]+ 212.104748 147.3
[M+H-H2O]+ 156.138850 136.1
[M+HCOO]- 218.139791 160.8
[M+CH3COO]- 232.155441 180.8
[M+Na-2H]- 194.116256 147.0
[M]+ 173.14104142 140.6
[M]- 173.14213858 140.6
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.