CID 5311639

1216802-47-9

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(=O)C1(CCCC1)N
InChI
InChI=1S/C7H13NO/c1-6(9)7(8)4-2-3-5-7/h2-5,8H2,1H3
InChIKey
CRIKMINAHWLNMK-UHFFFAOYSA-N
Compound name
1-(1-aminocyclopentyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 127.5
[M+Na]+ 150.088938 133.6
[M-H]- 126.092444 130.4
[M+NH4]+ 145.133543 152.5
[M+K]+ 166.062878 132.9
[M+H-H2O]+ 110.096980 123.1
[M+HCOO]- 172.097921 150.3
[M+CH3COO]- 186.113571 171.7
[M+Na-2H]- 148.074386 131.6
[M]+ 127.09917142 123.0
[M]- 127.10026858 123.0
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