CID 262586

1-methylazepan-4-one hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
CN1CCCC(=O)CC1
InChI
InChI=1S/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3
InChIKey
HXCVYSRFFKEHEA-UHFFFAOYSA-N
Compound name
1-methylazepan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 120.7
[M+Na]+ 150.08894 125.1
[M-H]- 126.09244 123.5
[M+NH4]+ 145.13354 140.0
[M+K]+ 166.06288 128.6
[M+H-H2O]+ 110.09698 115.1
[M+HCOO]- 172.09792 139.9
[M+CH3COO]- 186.11357 173.7
[M+Na-2H]- 148.07439 126.2
[M]+ 127.09917 114.2
[M]- 127.10027 114.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe