CID 155973304

2648862-74-0

Structural Information

Molecular Formula
C10H17F2NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(F)F
InChI
InChI=1S/C10H17F2NO4/c1-10(2,3)17-9(16)13-6(8(11)12)4-5-7(14)15/h6,8H,4-5H2,1-3H3,(H,13,16)(H,14,15)/t6-/m1/s1
InChIKey
QQMVIXDQPWLOKT-ZCFIWIBFSA-N
Compound name
(4R)-5,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.11256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11984 155.5
[M+Na]+ 276.10178 160.0
[M-H]- 252.10528 151.4
[M+NH4]+ 271.14638 171.4
[M+K]+ 292.07572 160.2
[M+H-H2O]+ 236.10982 148.7
[M+HCOO]- 298.11076 171.3
[M+CH3COO]- 312.12641 195.0
[M+Na-2H]- 274.08723 155.0
[M]+ 253.11201 154.1
[M]- 253.11311 154.1
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