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

36
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.5
[M+Na]+ 150.08894 133.6
[M-H]- 126.09244 130.4
[M+NH4]+ 145.13354 152.5
[M+K]+ 166.06288 132.9
[M+H-H2O]+ 110.09698 123.1
[M+HCOO]- 172.09792 150.3
[M+CH3COO]- 186.11357 171.7
[M+Na-2H]- 148.07439 131.6
[M]+ 127.09917 123.0
[M]- 127.10027 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