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

816
Patents

215.11575 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 152.2
[M+Na]+ 238.104968 155.5
[M-H]- 214.108474 154.0
[M+NH4]+ 233.149573 164.9
[M+K]+ 254.078908 158.8
[M+H-H2O]+ 198.113010 142.8
[M+HCOO]- 260.113951 169.9
[M+CH3COO]- 274.129601 188.6
[M+Na-2H]- 236.090416 155.7
[M]+ 215.11520142 160.4
[M]- 215.11629858 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