CID 143639816

2,2-dimethyl-1,3-dioxepan-5-amine

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC1(OCCC(CO1)N)C
InChI
InChI=1S/C7H15NO2/c1-7(2)9-4-3-6(8)5-10-7/h6H,3-5,8H2,1-2H3
InChIKey
OKYYNVKFBXJOOR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dioxepan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 125.6
[M+Na]+ 168.099498 129.6
[M-H]- 144.103004 130.7
[M+NH4]+ 163.144103 144.3
[M+K]+ 184.073438 135.3
[M+H-H2O]+ 128.107540 120.8
[M+HCOO]- 190.108481 144.5
[M+CH3COO]- 204.124131 177.5
[M+Na-2H]- 166.084946 133.1
[M]+ 145.10973142 120.2
[M]- 145.11082858 120.2
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.