CID 4479247

L-alpha-(methylenecyclopropyl)-glycine

Structural Information

Molecular Formula
C6H9NO2
SMILES
C=C1CC1C(C(=O)O)N
InChI
InChI=1S/C6H9NO2/c1-3-2-4(3)5(7)6(8)9/h4-5H,1-2,7H2,(H,8,9)
InChIKey
MPIZVHPMGFWKMJ-UHFFFAOYSA-N
Compound name
2-amino-2-(2-methylidenecyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

513
Patents

127.06333 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 123.0
[M+Na]+ 150.05255 132.0
[M-H]- 126.05605 126.4
[M+NH4]+ 145.09715 139.2
[M+K]+ 166.02649 129.2
[M+H-H2O]+ 110.06059 118.0
[M+HCOO]- 172.06153 145.0
[M+CH3COO]- 186.07718 175.8
[M+Na-2H]- 148.03800 126.5
[M]+ 127.06278 122.7
[M]- 127.06388 122.7
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