CID 55255057

2,2-diethoxypropan-1-amine

Structural Information

Molecular Formula
C7H17NO2
SMILES
CCOC(C)(CN)OCC
InChI
InChI=1S/C7H17NO2/c1-4-9-7(3,6-8)10-5-2/h4-6,8H2,1-3H3
InChIKey
UINLQSAHXLBLRS-UHFFFAOYSA-N
Compound name
2,2-diethoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

147.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.13321 134.0
[M+Na]+ 170.11515 140.3
[M-H]- 146.11865 133.7
[M+NH4]+ 165.15975 155.1
[M+K]+ 186.08909 140.7
[M+H-H2O]+ 130.12319 129.3
[M+HCOO]- 192.12413 156.7
[M+CH3COO]- 206.13978 178.6
[M+Na-2H]- 168.10060 140.3
[M]+ 147.12538 136.2
[M]- 147.12648 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe