CID 59026149

Tert-butyl n-[(3-fluoropyrrolidin-3-yl)methyl]carbamate hydrochloride

Structural Information

Molecular Formula
C10H19FN2O2
SMILES
CC(C)(C)OC(=O)NCC1(CCNC1)F
InChI
InChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-7-10(11)4-5-12-6-10/h12H,4-7H2,1-3H3,(H,13,14)
InChIKey
GPEHPMQIVVIUQX-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

218.14305 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15033 150.4
[M+Na]+ 241.13227 155.4
[M-H]- 217.13577 149.4
[M+NH4]+ 236.17687 170.2
[M+K]+ 257.10621 154.1
[M+H-H2O]+ 201.14031 144.4
[M+HCOO]- 263.14125 167.7
[M+CH3COO]- 277.15690 184.6
[M+Na-2H]- 239.11772 154.1
[M]+ 218.14250 146.3
[M]- 218.14360 146.3
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