CID 13051202

45511-81-7

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CCC(C1)(CN)O
InChI
InChI=1S/C6H13NO/c7-5-6(8)3-1-2-4-6/h8H,1-5,7H2
InChIKey
FEALJKFIUQDJAV-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

466
Patents

115.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.0
[M+Na]+ 138.088938 130.1
[M-H]- 114.092444 125.5
[M+NH4]+ 133.133543 148.9
[M+K]+ 154.062878 128.9
[M+H-H2O]+ 98.096980 119.8
[M+HCOO]- 160.097921 146.4
[M+CH3COO]- 174.113571 166.1
[M+Na-2H]- 136.074386 129.5
[M]+ 115.09917142 118.6
[M]- 115.10026858 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

literature stripe

Patent stripe

patents stripe