CID 1512646

Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC1)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
ROVVUKFHORPDSM-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

876
Patents

215.11575 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 152.2
[M+Na]+ 238.10497 155.5
[M-H]- 214.10847 154.0
[M+NH4]+ 233.14957 164.9
[M+K]+ 254.07891 158.8
[M+H-H2O]+ 198.11301 142.8
[M+HCOO]- 260.11395 169.9
[M+CH3COO]- 274.12960 188.6
[M+Na-2H]- 236.09042 155.7
[M]+ 215.11520 160.4
[M]- 215.11630 160.4
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