CID 67123242

6,6-dimethyl-1,4-oxazepane hydrochloride

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(CNCCOC1)C
InChI
InChI=1S/C7H15NO/c1-7(2)5-8-3-4-9-6-7/h8H,3-6H2,1-2H3
InChIKey
UJFRFUXWTCRXRP-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

129.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 122.7
[M+Na]+ 152.104588 126.3
[M-H]- 128.108094 124.6
[M+NH4]+ 147.149193 141.6
[M+K]+ 168.078528 130.0
[M+H-H2O]+ 112.112630 117.1
[M+HCOO]- 174.113571 139.3
[M+CH3COO]- 188.129221 170.5
[M+Na-2H]- 150.090036 130.1
[M]+ 129.11482142 115.4
[M]- 129.11591858 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