CID 11964402

N-[(allyloxy)carbonyl]glycine

Structural Information

Molecular Formula
C6H9NO4
SMILES
C=CCOC(=O)NCC(=O)O
InChI
InChI=1S/C6H9NO4/c1-2-3-11-6(10)7-4-5(8)9/h2H,1,3-4H2,(H,7,10)(H,8,9)
InChIKey
ZNUQQBSUOAMEBA-UHFFFAOYSA-N
Compound name
2-(prop-2-enoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

159.05316 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 131.7
[M+Na]+ 182.04238 138.0
[M-H]- 158.04588 130.6
[M+NH4]+ 177.08698 151.3
[M+K]+ 198.01632 137.8
[M+H-H2O]+ 142.05042 126.6
[M+HCOO]- 204.05136 154.6
[M+CH3COO]- 218.06701 175.1
[M+Na-2H]- 180.02783 135.9
[M]+ 159.05261 132.4
[M]- 159.05371 132.4
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