CID 688396

88950-64-5

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)NC1(CC1)C(=O)O
InChI
InChI=1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
DSKCOVBHIFAJRI-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2177
Patents

201.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 143.3
[M+Na]+ 224.089328 151.3
[M-H]- 200.092834 146.8
[M+NH4]+ 219.133933 158.8
[M+K]+ 240.063268 150.4
[M+H-H2O]+ 184.097370 139.6
[M+HCOO]- 246.098311 163.5
[M+CH3COO]- 260.113961 185.9
[M+Na-2H]- 222.074776 149.0
[M]+ 201.09956142 147.4
[M]- 201.10065858 147.4
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