CID 165886651

En300-27728235

Structural Information

Molecular Formula
C12H19F2NO4
SMILES
CC(C)(C)OC(=O)NCCCC1(CC1(F)F)C(=O)O
InChI
InChI=1S/C12H19F2NO4/c1-10(2,3)19-9(18)15-6-4-5-11(8(16)17)7-12(11,13)14/h4-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
CLOIEYZDGIBPKO-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13548 156.5
[M+Na]+ 302.11742 164.6
[M-H]- 278.12092 157.3
[M+NH4]+ 297.16202 170.9
[M+K]+ 318.09136 163.3
[M+H-H2O]+ 262.12546 152.3
[M+HCOO]- 324.12640 173.2
[M+CH3COO]- 338.14205 200.6
[M+Na-2H]- 300.10287 160.7
[M]+ 279.12765 160.2
[M]- 279.12875 160.2
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

No patent data available for this compound.