CID 82596009

7-tert-butyl-1,4-oxazepane hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)C1CCNCCO1
InChI
InChI=1S/C9H19NO/c1-9(2,3)8-4-5-10-6-7-11-8/h8,10H,4-7H2,1-3H3
InChIKey
JBLNCKGCJCTSOJ-UHFFFAOYSA-N
Compound name
7-tert-butyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 131.1
[M+Na]+ 180.135888 133.7
[M-H]- 156.139394 132.8
[M+NH4]+ 175.180493 147.4
[M+K]+ 196.109828 137.6
[M+H-H2O]+ 140.143930 125.5
[M+HCOO]- 202.144871 145.8
[M+CH3COO]- 216.160521 176.3
[M+Na-2H]- 178.121336 137.3
[M]+ 157.14612142 123.9
[M]- 157.14721858 123.9
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.