CID 17752402

951173-22-1

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)O
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7+/m0/s1
InChIKey
JTMAFJQIPKPNFJ-NKWVEPMBSA-N
Compound name
cis-(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 150.9
[M+Na]+ 238.104968 154.1
[M-H]- 214.108474 152.7
[M+NH4]+ 233.149573 161.8
[M+K]+ 254.078908 157.4
[M+H-H2O]+ 198.113010 140.0
[M+HCOO]- 260.113951 168.6
[M+CH3COO]- 274.129601 190.2
[M+Na-2H]- 236.090416 152.5
[M]+ 215.11520142 159.0
[M]- 215.11629858 159.0
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