CID 65179849

1-amino-3-cyclopentylpropan-2-one hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CCC(C1)CC(=O)CN
InChI
InChI=1S/C8H15NO/c9-6-8(10)5-7-3-1-2-4-7/h7H,1-6,9H2
InChIKey
OOZDMPVHNNWODG-UHFFFAOYSA-N
Compound name
1-amino-3-cyclopentylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 133.0
[M+Na]+ 164.104588 137.7
[M-H]- 140.108094 135.3
[M+NH4]+ 159.149193 155.3
[M+K]+ 180.078528 136.6
[M+H-H2O]+ 124.112630 127.3
[M+HCOO]- 186.113571 155.3
[M+CH3COO]- 200.129221 175.2
[M+Na-2H]- 162.090036 135.3
[M]+ 141.11482142 128.5
[M]- 141.11591858 128.5
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