CID 65238388

1492210-75-9

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCC(CC(C1)CN)O
InChI
InChI=1S/C8H17NO/c9-6-7-3-1-2-4-8(10)5-7/h7-8,10H,1-6,9H2
InChIKey
QWELCIXKOZTXME-UHFFFAOYSA-N
Compound name
3-(aminomethyl)cycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 128.1
[M+Na]+ 166.12023 130.4
[M-H]- 142.12373 130.3
[M+NH4]+ 161.16483 146.8
[M+K]+ 182.09417 133.5
[M+H-H2O]+ 126.12827 123.2
[M+HCOO]- 188.12921 146.9
[M+CH3COO]- 202.14486 176.3
[M+Na-2H]- 164.10568 131.7
[M]+ 143.13046 118.6
[M]- 143.13156 118.6
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

No patent data available for this compound.