CID 28806956

2,2-dimethyl-1,4-oxazepane hydrochloride

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(CNCCCO1)C
InChI
InChI=1S/C7H15NO/c1-7(2)6-8-4-3-5-9-7/h8H,3-6H2,1-2H3
InChIKey
ADFKBIVEFNFOFT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 125.2
[M+Na]+ 152.10459 134.0
[M+NH4]+ 147.14919 134.1
[M+K]+ 168.07853 129.0
[M-H]- 128.10809 127.1
[M+Na-2H]- 150.09004 131.3
[M]+ 129.11482 127.0
[M]- 129.11592 127.0
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

patents stripe