CID 130752827

1932310-74-1

Structural Information

Molecular Formula

C₁₀H₁₈F₂N₂O₂

SMILES

CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C(F)F

InChI

InChI=1S/C10H18F2N2O2/c1-10(2,3)16-9(15)14-7-5-13-4-6(7)8(11)12/h6-8,13H,4-5H2,1-3H3,(H,14,15)/t6-,7-/m1/s1

InChIKey

SPVLYYWTWMUWDD-RNFRBKRXSA-N

Compound name

tert-butyl N-[(3S,4R)-4-(difluoromethyl)pyrrolidin-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 236.13364 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.140916	153.6
[M+Na]+	259.122858	158.4
[M-H]-	235.126364	151.4
[M+NH4]+	254.167463	170.8
[M+K]+	275.096798	156.9
[M+H-H2O]+	219.130900	146.0
[M+HCOO]-	281.131841	168.8
[M+CH3COO]-	295.147491	189.9
[M+Na-2H]-	257.108306	153.5
[M]+	236.13309142	147.7
[M]-	236.13418858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe