CID 216240

Icofungipen

Structural Information

Molecular Formula
C7H11NO2
SMILES
C=C1C[C@H]([C@H](C1)N)C(=O)O
InChI
InChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h5-6H,1-3,8H2,(H,9,10)/t5-,6+/m1/s1
InChIKey
RKOUGZGFAYMUIO-RITPCOANSA-N
Compound name
cis-(1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

296
Patents

141.07898 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 129.4
[M+Na]+ 164.068198 136.3
[M-H]- 140.071704 131.3
[M+NH4]+ 159.112803 151.6
[M+K]+ 180.042138 134.4
[M+H-H2O]+ 124.076240 124.8
[M+HCOO]- 186.077181 151.0
[M+CH3COO]- 200.092831 173.1
[M+Na-2H]- 162.053646 130.6
[M]+ 141.07843142 124.2
[M]- 141.07952858 124.2
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