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

71
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 125.0
[M+Na]+ 152.104588 128.2
[M-H]- 128.108094 125.1
[M+NH4]+ 147.149193 144.4
[M+K]+ 168.078528 130.3
[M+H-H2O]+ 112.112630 119.7
[M+HCOO]- 174.113571 141.1
[M+CH3COO]- 188.129221 168.1
[M+Na-2H]- 150.090036 130.9
[M]+ 129.11482142 115.4
[M]- 129.11591858 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