CID 19691491

Tert-butyl [3-(trifluoromethyl)pyrrolidin-3-yl]carbamate

Structural Information

Molecular Formula
C10H17F3N2O2
SMILES
CC(C)(C)OC(=O)NC1(CCNC1)C(F)(F)F
InChI
InChI=1S/C10H17F3N2O2/c1-8(2,3)17-7(16)15-9(10(11,12)13)4-5-14-6-9/h14H,4-6H2,1-3H3,(H,15,16)
InChIKey
CBRWRWRFOZZKCN-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

254.1242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.131476 154.7
[M+Na]+ 277.113418 160.2
[M-H]- 253.116924 151.2
[M+NH4]+ 272.158023 173.0
[M+K]+ 293.087358 158.6
[M+H-H2O]+ 237.121460 147.7
[M+HCOO]- 299.122401 168.3
[M+CH3COO]- 313.138051 189.9
[M+Na-2H]- 275.098866 158.4
[M]+ 254.12365142 147.5
[M]- 254.12474858 147.5
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