CID 165983201

{[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(ethyl)amine hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCNC[C@H]1COC(O1)(C)C
InChI
InChI=1S/C8H17NO2/c1-4-9-5-7-6-10-8(2,3)11-7/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
FRNFVHCYLIEWMT-ZETCQYMHSA-N
Compound name
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 134.3
[M+Na]+ 182.11515 140.9
[M-H]- 158.11865 139.0
[M+NH4]+ 177.15975 156.2
[M+K]+ 198.08909 142.7
[M+H-H2O]+ 142.12319 130.1
[M+HCOO]- 204.12413 156.5
[M+CH3COO]- 218.13978 178.7
[M+Na-2H]- 180.10060 141.7
[M]+ 159.12538 135.7
[M]- 159.12648 135.7
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.