CID 23400114

2305079-83-6

Structural Information

Molecular Formula
C6H11NO
SMILES
C=C1CNCCOC1
InChI
InChI=1S/C6H11NO/c1-6-4-7-2-3-8-5-6/h7H,1-5H2
InChIKey
CLXANQYKLVSDPR-UHFFFAOYSA-N
Compound name
6-methylidene-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 117.5
[M+Na]+ 136.07328 121.0
[M-H]- 112.07678 119.4
[M+NH4]+ 131.11788 135.1
[M+K]+ 152.04722 124.6
[M+H-H2O]+ 96.081320 111.8
[M+HCOO]- 158.08226 134.7
[M+CH3COO]- 172.09791 167.2
[M+Na-2H]- 134.05873 124.6
[M]+ 113.08351 109.1
[M]- 113.08461 109.1
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.