CID 11768666

Hypoglycin

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

92
References

394
Patents

141.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 127.3
[M+Na]+ 164.06820 135.9
[M-H]- 140.07170 130.5
[M+NH4]+ 159.11280 143.0
[M+K]+ 180.04214 132.8
[M+H-H2O]+ 124.07624 122.1
[M+HCOO]- 186.07718 149.0
[M+CH3COO]- 200.09283 178.7
[M+Na-2H]- 162.05365 130.3
[M]+ 141.07843 127.3
[M]- 141.07953 127.3
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