CID 116164957

1-(3-methyloxolan-3-yl)-1,4-diazepane

Structural Information

Molecular Formula
C10H20N2O
SMILES
CC1(CCOC1)N2CCCNCC2
InChI
InChI=1S/C10H20N2O/c1-10(3-8-13-9-10)12-6-2-4-11-5-7-12/h11H,2-9H2,1H3
InChIKey
NCILBQHRIYHGTM-UHFFFAOYSA-N
Compound name
1-(3-methyloxolan-3-yl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.15756 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 140.7
[M+Na]+ 207.14678 142.7
[M-H]- 183.15028 143.4
[M+NH4]+ 202.19138 157.3
[M+K]+ 223.12072 144.4
[M+H-H2O]+ 167.15482 132.1
[M+HCOO]- 229.15576 154.4
[M+CH3COO]- 243.17141 150.6
[M+Na-2H]- 205.13223 143.9
[M]+ 184.15701 130.4
[M]- 184.15811 130.4
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.