CID 62416593

1-cyclobutyl-6-methyl-1,4-diazepane

Structural Information

Molecular Formula
C10H20N2
SMILES
CC1CNCCN(C1)C2CCC2
InChI
InChI=1S/C10H20N2/c1-9-7-11-5-6-12(8-9)10-3-2-4-10/h9-11H,2-8H2,1H3
InChIKey
NWDAHVJVGDJIDT-UHFFFAOYSA-N
Compound name
1-cyclobutyl-6-methyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.16992 137.2
[M+Na]+ 191.15186 138.9
[M-H]- 167.15536 139.5
[M+NH4]+ 186.19646 146.9
[M+K]+ 207.12580 142.2
[M+H-H2O]+ 151.15990 125.5
[M+HCOO]- 213.16084 150.9
[M+CH3COO]- 227.17649 183.0
[M+Na-2H]- 189.13731 140.0
[M]+ 168.16209 135.4
[M]- 168.16319 135.4
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.