CID 69725570

3-(aminomethyl)cyclopentan-1-one hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC(=O)CC1CN
InChI
InChI=1S/C6H11NO/c7-4-5-1-2-6(8)3-5/h5H,1-4,7H2
InChIKey
SSZMVNBVJGCVFK-UHFFFAOYSA-N
Compound name
3-(aminomethyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

113.08406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.4
[M+Na]+ 136.073278 129.2
[M-H]- 112.076784 125.3
[M+NH4]+ 131.117883 146.3
[M+K]+ 152.047218 128.1
[M+H-H2O]+ 96.081320 117.4
[M+HCOO]- 158.082261 146.4
[M+CH3COO]- 172.097911 169.4
[M+Na-2H]- 134.058726 126.5
[M]+ 113.08351142 118.2
[M]- 113.08460858 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

No literature data available for this compound.

Patent stripe

patents stripe