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

28
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 122.7
[M+Na]+ 152.10459 126.3
[M-H]- 128.10809 124.6
[M+NH4]+ 147.14919 141.6
[M+K]+ 168.07853 130.0
[M+H-H2O]+ 112.11263 117.1
[M+HCOO]- 174.11357 139.3
[M+CH3COO]- 188.12922 170.5
[M+Na-2H]- 150.09004 130.1
[M]+ 129.11482 115.4
[M]- 129.11592 115.4
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