CID 19600383

4-methoxyazepane hydrochloride

Structural Information

Molecular Formula
C7H15NO
SMILES
COC1CCCNCC1
InChI
InChI=1S/C7H15NO/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKey
MBGKJOCBUBJWCC-UHFFFAOYSA-N
Compound name
4-methoxyazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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 123.5
[M+Na]+ 152.10459 126.3
[M-H]- 128.10809 124.5
[M+NH4]+ 147.14919 141.8
[M+K]+ 168.07853 129.4
[M+H-H2O]+ 112.11263 117.6
[M+HCOO]- 174.11357 141.1
[M+CH3COO]- 188.12922 171.0
[M+Na-2H]- 150.09004 129.1
[M]+ 129.11482 115.5
[M]- 129.11592 115.5
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