CID 55256116

2-(aminomethyl)cyclopentan-1-one hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC(C(=O)C1)CN
InChI
InChI=1S/C6H11NO/c7-4-5-2-1-3-6(5)8/h5H,1-4,7H2
InChIKey
AFLIGFFKSOPBNA-UHFFFAOYSA-N
Compound name
2-(aminomethyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.4
[M+Na]+ 136.07328 129.2
[M-H]- 112.07678 125.3
[M+NH4]+ 131.11788 146.3
[M+K]+ 152.04722 128.1
[M+H-H2O]+ 96.081320 117.4
[M+HCOO]- 158.08226 146.4
[M+CH3COO]- 172.09791 169.4
[M+Na-2H]- 134.05873 126.5
[M]+ 113.08351 118.2
[M]- 113.08461 118.2
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