CID 18438648

1-(aminomethyl)cycloheptanol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCCC(CC1)(CN)O
InChI
InChI=1S/C8H17NO/c9-7-8(10)5-3-1-2-4-6-8/h10H,1-7,9H2
InChIKey
ZOIJDKLCFSGRFF-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

170
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 127.3
[M+Na]+ 166.12023 134.4
[M+NH4]+ 161.16483 136.3
[M+K]+ 182.09417 129.3
[M-H]- 142.12373 128.8
[M+Na-2H]- 164.10568 133.4
[M]+ 143.13046 128.6
[M]- 143.13156 128.6
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