CID 417956

1-butylazepane

Structural Information

Molecular Formula
C10H21N
SMILES
CCCCN1CCCCCC1
InChI
InChI=1S/C10H21N/c1-2-3-8-11-9-6-4-5-7-10-11/h2-10H2,1H3
InChIKey
IIUDBWFOJYPWAK-UHFFFAOYSA-N
Compound name
1-butylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

155.1674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 134.7
[M+Na]+ 178.15662 143.4
[M+NH4]+ 173.20122 142.8
[M+K]+ 194.13056 138.1
[M-H]- 154.16012 136.3
[M+Na-2H]- 176.14207 140.0
[M]+ 155.16685 136.3
[M]- 155.16795 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe