CID 6452012

N-vinyloxycarbonyl-l-alanine

Structural Information

Molecular Formula
C6H9NO4
SMILES
C[C@@H](C(=O)O)NC(=O)OC=C
InChI
InChI=1S/C6H9NO4/c1-3-11-6(10)7-4(2)5(8)9/h3-4H,1H2,2H3,(H,7,10)(H,8,9)/t4-/m0/s1
InChIKey
TZJSRVJKJPOOQV-BYPYZUCNSA-N
Compound name
(2S)-2-(ethenoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

159.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 132.0
[M+Na]+ 182.042378 138.1
[M-H]- 158.045884 131.0
[M+NH4]+ 177.086983 151.5
[M+K]+ 198.016318 138.4
[M+H-H2O]+ 142.050420 127.0
[M+HCOO]- 204.051361 153.9
[M+CH3COO]- 218.067011 176.0
[M+Na-2H]- 180.027826 135.0
[M]+ 159.05261142 132.0
[M]- 159.05370858 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe