CID 156126

L-vinylglycine

Structural Information

Molecular Formula
C4H7NO2
SMILES
C=C[C@@H](C(=O)O)N
InChI
InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m0/s1
InChIKey
RQVLGLPAZTUBKX-VKHMYHEASA-N
Compound name
(2S)-2-aminobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

41
References

2775
Patents

101.047676 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 119.0
[M+Na]+ 124.03689 125.8
[M-H]- 100.04040 117.7
[M+NH4]+ 119.08150 140.7
[M+K]+ 140.01083 125.4
[M+H-H2O]+ 84.044936 114.7
[M+HCOO]- 146.04588 141.1
[M+CH3COO]- 160.06153 166.4
[M+Na-2H]- 122.02234 123.1
[M]+ 101.04713 115.8
[M]- 101.04822 115.8
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