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

40
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 123.5
[M+Na]+ 152.104588 126.3
[M-H]- 128.108094 124.5
[M+NH4]+ 147.149193 141.8
[M+K]+ 168.078528 129.4
[M+H-H2O]+ 112.112630 117.6
[M+HCOO]- 174.113571 141.1
[M+CH3COO]- 188.129221 171.0
[M+Na-2H]- 150.090036 129.1
[M]+ 129.11482142 115.5
[M]- 129.11591858 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