CID 70631

[4-(aminomethyl)cyclohexyl]methanol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CC(CCC1CN)CO
InChI
InChI=1S/C8H17NO/c9-5-7-1-3-8(6-10)4-2-7/h7-8,10H,1-6,9H2
InChIKey
WWDKVICMJWBJKJ-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

604
Patents

143.13101 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 131.9
[M+Na]+ 166.12023 141.1
[M+NH4]+ 161.16483 140.6
[M+K]+ 182.09417 135.5
[M-H]- 142.12373 133.9
[M+Na-2H]- 164.10568 136.2
[M]+ 143.13046 133.5
[M]- 143.13156 133.5
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

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