CID 122164240

1955515-06-6

Structural Information

Molecular Formula
C7H15NO
SMILES
C[C@@H]1CCNC[C@@H](O1)C
InChI
InChI=1S/C7H15NO/c1-6-3-4-8-5-7(2)9-6/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey
ILHDWFNCSJCYQE-RQJHMYQMSA-N
Compound name
(2S,7R)-2,7-dimethyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 122.5
[M+Na]+ 152.10459 126.2
[M-H]- 128.10809 124.5
[M+NH4]+ 147.14919 139.9
[M+K]+ 168.07853 130.2
[M+H-H2O]+ 112.11263 116.8
[M+HCOO]- 174.11357 139.2
[M+CH3COO]- 188.12922 171.9
[M+Na-2H]- 150.09004 128.4
[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

No patent data available for this compound.