CID 53686699

107610-73-1

Structural Information

Molecular Formula
C10H20N2O2
SMILES
C[C@@H]1CNC[C@H]1NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8-/m1/s1
InChIKey
BKITXDSDJGOXPN-HTQZYQBOSA-N
Compound name
tert-butyl N-[(3S,4R)-4-methylpyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

200.15248 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 149.0
[M+Na]+ 223.141698 154.0
[M-H]- 199.145204 149.5
[M+NH4]+ 218.186303 168.0
[M+K]+ 239.115638 152.9
[M+H-H2O]+ 183.149740 143.3
[M+HCOO]- 245.150681 167.4
[M+CH3COO]- 259.166331 183.5
[M+Na-2H]- 221.127146 151.2
[M]+ 200.15193142 146.1
[M]- 200.15302858 146.1
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