CID 155822899

2470278-92-1

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CC1(OC[C@H]([C@H](CO1)N)N)C
InChI
InChI=1S/C7H16N2O2/c1-7(2)10-3-5(8)6(9)4-11-7/h5-6H,3-4,8-9H2,1-2H3/t5-,6+
InChIKey
BBGZFFZIRFAACC-OLQVQODUSA-N
Compound name
(5R,6S)-2,2-dimethyl-1,3-dioxepane-5,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.12119 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 131.4
[M+Na]+ 183.11041 135.5
[M-H]- 159.11391 136.3
[M+NH4]+ 178.15501 149.2
[M+K]+ 199.08435 141.2
[M+H-H2O]+ 143.11845 125.9
[M+HCOO]- 205.11939 150.5
[M+CH3COO]- 219.13504 182.8
[M+Na-2H]- 181.09586 137.4
[M]+ 160.12064 124.8
[M]- 160.12174 124.8
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.