CID 67811582

Tert-butyl n-[(4,4-difluoropyrrolidin-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C10H18F2N2O2
SMILES
CC(C)(C)OC(=O)NCC1CNCC1(F)F
InChI
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-7-4-13-6-10(7,11)12/h7,13H,4-6H2,1-3H3,(H,14,15)
InChIKey
IWBXWTOVPQDSRU-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4,4-difluoropyrrolidin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

236.13364 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14092 152.0
[M+Na]+ 259.12286 158.0
[M-H]- 235.12636 150.0
[M+NH4]+ 254.16746 171.3
[M+K]+ 275.09680 156.2
[M+H-H2O]+ 219.13090 145.4
[M+HCOO]- 281.13184 168.3
[M+CH3COO]- 295.14749 188.5
[M+Na-2H]- 257.10831 154.5
[M]+ 236.13309 147.1
[M]- 236.13419 147.1
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