CID 23592887

1-tert-butyl-1,4-diazepane

Structural Information

Molecular Formula
C9H20N2
SMILES
CC(C)(C)N1CCCNCC1
InChI
InChI=1S/C9H20N2/c1-9(2,3)11-7-4-5-10-6-8-11/h10H,4-8H2,1-3H3
InChIKey
NFTNAOZWHAOMPK-UHFFFAOYSA-N
Compound name
1-tert-butyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

156.16264 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 133.6
[M+Na]+ 179.15186 136.4
[M-H]- 155.15536 133.4
[M+NH4]+ 174.19646 149.9
[M+K]+ 195.12580 138.9
[M+H-H2O]+ 139.15990 126.7
[M+HCOO]- 201.16084 147.7
[M+CH3COO]- 215.17649 177.1
[M+Na-2H]- 177.13731 138.8
[M]+ 156.16209 125.0
[M]- 156.16319 125.0
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

patents stripe