CID 82594498

2-(propan-2-yl)-1,4-oxazepane

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)C1CNCCCO1
InChI
InChI=1S/C8H17NO/c1-7(2)8-6-9-4-3-5-10-8/h7-9H,3-6H2,1-2H3
InChIKey
JPYYBLAUULIEFR-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 127.1
[M+Na]+ 166.12023 129.3
[M-H]- 142.12373 128.7
[M+NH4]+ 161.16483 143.6
[M+K]+ 182.09417 133.5
[M+H-H2O]+ 126.12827 121.0
[M+HCOO]- 188.12921 142.6
[M+CH3COO]- 202.14486 174.5
[M+Na-2H]- 164.10568 132.0
[M]+ 143.13046 119.4
[M]- 143.13156 119.4
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