CID 165791522

3,3-dimethyl-6-methylidene-1,4-oxazepanehydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1(COCC(=C)CN1)C
InChI
InChI=1S/C8H15NO/c1-7-4-9-8(2,3)6-10-5-7/h9H,1,4-6H2,2-3H3
InChIKey
INASDMARBGPFML-UHFFFAOYSA-N
Compound name
3,3-dimethyl-6-methylidene-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 125.2
[M+Na]+ 164.10459 129.7
[M-H]- 140.10809 127.4
[M+NH4]+ 159.14919 143.9
[M+K]+ 180.07853 132.6
[M+H-H2O]+ 124.11263 119.9
[M+HCOO]- 186.11357 141.7
[M+CH3COO]- 200.12922 173.5
[M+Na-2H]- 162.09004 131.6
[M]+ 141.11482 118.0
[M]- 141.11592 118.0
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.