CID 22636120

(1-methylazepan-3-yl)methanol

Structural Information

Molecular Formula
C8H17NO
SMILES
CN1CCCCC(C1)CO
InChI
InChI=1S/C8H17NO/c1-9-5-3-2-4-8(6-9)7-10/h8,10H,2-7H2,1H3
InChIKey
SJJXIAHKOZPIDO-UHFFFAOYSA-N
Compound name
(1-methylazepan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 128.7
[M+Na]+ 166.12023 137.2
[M+NH4]+ 161.16483 136.3
[M+K]+ 182.09417 133.4
[M-H]- 142.12373 129.5
[M+Na-2H]- 164.10568 133.4
[M]+ 143.13046 130.0
[M]- 143.13156 130.0
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