CID 91647492

Tert-butyl n-[(2r)-1-aminopropan-2-yl]-n-ethylcarbamate

Structural Information

Molecular Formula
C10H22N2O2
SMILES
CCN([C@H](C)CN)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H22N2O2/c1-6-12(8(2)7-11)9(13)14-10(3,4)5/h8H,6-7,11H2,1-5H3/t8-/m1/s1
InChIKey
BCXIODCAQHGGLG-MRVPVSSYSA-N
Compound name
tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

202.16812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17540 150.7
[M+Na]+ 225.15734 155.3
[M-H]- 201.16084 151.8
[M+NH4]+ 220.20194 170.0
[M+K]+ 241.13128 156.8
[M+H-H2O]+ 185.16538 145.2
[M+HCOO]- 247.16632 172.4
[M+CH3COO]- 261.18197 194.9
[M+Na-2H]- 223.14279 152.5
[M]+ 202.16757 152.3
[M]- 202.16867 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