CID 2901

Cycloleucine

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CCC(C1)(C(=O)O)N
InChI
InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
InChIKey
NILQLFBWTXNUOE-UHFFFAOYSA-N
Compound name
1-aminocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1259
References

11942
Patents

129.07898 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.6
[M+Na]+ 152.068198 132.7
[M-H]- 128.071704 128.2
[M+NH4]+ 147.112803 150.7
[M+K]+ 168.042138 131.7
[M+H-H2O]+ 112.076240 122.4
[M+HCOO]- 174.077181 148.4
[M+CH3COO]- 188.092831 168.2
[M+Na-2H]- 150.053646 130.8
[M]+ 129.07843142 121.3
[M]- 129.07952858 121.3
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