CID 117046196

2,7-dimethyl-1,4-oxazepane

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1CCNCC(O1)C
InChI
InChI=1S/C7H15NO/c1-6-3-4-8-5-7(2)9-6/h6-8H,3-5H2,1-2H3
InChIKey
ILHDWFNCSJCYQE-UHFFFAOYSA-N
Compound name
2,7-dimethyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

129.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 126.7
[M+Na]+ 152.10459 135.7
[M+NH4]+ 147.14919 134.3
[M+K]+ 168.07853 132.3
[M-H]- 128.10809 128.6
[M+Na-2H]- 150.09004 131.0
[M]+ 129.11482 128.4
[M]- 129.11592 128.4
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