CID 58394817

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

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)C1CNCCOC1
InChI
InChI=1S/C8H17NO/c1-7(2)8-5-9-3-4-10-6-8/h7-9H,3-6H2,1-2H3
InChIKey
HVTRAPBQDQZBDU-UHFFFAOYSA-N
Compound name
6-propan-2-yl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 127.1
[M+Na]+ 166.120228 129.3
[M-H]- 142.123734 128.7
[M+NH4]+ 161.164833 143.6
[M+K]+ 182.094168 133.5
[M+H-H2O]+ 126.128270 121.0
[M+HCOO]- 188.129211 142.6
[M+CH3COO]- 202.144861 174.5
[M+Na-2H]- 164.105676 132.0
[M]+ 143.13046142 119.4
[M]- 143.13155858 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