CID 12187121

180913-22-8

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)NC/C=C/C(=O)O
InChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)/b5-4+
InChIKey
MUQOCUSTNGBFJL-SNAWJCMRSA-N
Compound name
(E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

201.10011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 145.2
[M+Na]+ 224.08933 150.9
[M-H]- 200.09283 144.1
[M+NH4]+ 219.13393 163.5
[M+K]+ 240.06327 150.5
[M+H-H2O]+ 184.09737 140.5
[M+HCOO]- 246.09831 165.6
[M+CH3COO]- 260.11396 183.1
[M+Na-2H]- 222.07478 148.8
[M]+ 201.09956 146.5
[M]- 201.10066 146.5
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