CID 10900007

Tert-butyl (3r)-3-[(methylamino)methyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)CNC
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-5-9(8-13)7-12-4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKey
WUTNESNBEPKXRB-SECBINFHSA-N
Compound name
tert-butyl (3R)-3-(methylaminomethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

214.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 152.9
[M+Na]+ 237.15734 158.0
[M-H]- 213.16084 154.7
[M+NH4]+ 232.20194 172.1
[M+K]+ 253.13128 157.5
[M+H-H2O]+ 197.16538 146.8
[M+HCOO]- 259.16632 172.5
[M+CH3COO]- 273.18197 189.1
[M+Na-2H]- 235.14279 155.1
[M]+ 214.16757 152.3
[M]- 214.16867 152.3
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