CID 53393484

4-methylazepan-4-ol hydrochloride

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(CCCNCC1)O
InChI
InChI=1S/C7H15NO/c1-7(9)3-2-5-8-6-4-7/h8-9H,2-6H2,1H3
InChIKey
NUSFCKJOSCESDP-UHFFFAOYSA-N
Compound name
4-methylazepan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 125.0
[M+Na]+ 152.10459 128.2
[M-H]- 128.10809 125.1
[M+NH4]+ 147.14919 144.4
[M+K]+ 168.07853 130.3
[M+H-H2O]+ 112.11263 119.7
[M+HCOO]- 174.11357 141.1
[M+CH3COO]- 188.12922 168.1
[M+Na-2H]- 150.09004 130.9
[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

patents stripe