CID 2757270

1-butyl-1,4-diazepane

Structural Information

Molecular Formula
C9H20N2
SMILES
CCCCN1CCCNCC1
InChI
InChI=1S/C9H20N2/c1-2-3-7-11-8-4-5-10-6-9-11/h10H,2-9H2,1H3
InChIKey
GPWLJZCPRQGUMM-UHFFFAOYSA-N
Compound name
1-butyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

156.16264 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 133.5
[M+Na]+ 179.151858 135.7
[M-H]- 155.155364 132.8
[M+NH4]+ 174.196463 149.5
[M+K]+ 195.125798 137.7
[M+H-H2O]+ 139.159900 125.8
[M+HCOO]- 201.160841 149.0
[M+CH3COO]- 215.176491 177.4
[M+Na-2H]- 177.137306 138.0
[M]+ 156.16209142 125.3
[M]- 156.16318858 125.3
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