CID 22764270

4-tert-butylazepane

Structural Information

Molecular Formula
C10H21N
SMILES
CC(C)(C)C1CCCNCC1
InChI
InChI=1S/C10H21N/c1-10(2,3)9-5-4-7-11-8-6-9/h9,11H,4-8H2,1-3H3
InChIKey
LAHPNGGYIWAYMX-UHFFFAOYSA-N
Compound name
4-tert-butylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

155.1674 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 133.1
[M+Na]+ 178.15662 135.3
[M-H]- 154.16012 134.1
[M+NH4]+ 173.20122 150.8
[M+K]+ 194.13056 137.7
[M+H-H2O]+ 138.16466 127.7
[M+HCOO]- 200.16560 148.1
[M+CH3COO]- 214.18125 177.4
[M+Na-2H]- 176.14207 137.9
[M]+ 155.16685 124.3
[M]- 155.16795 124.3
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