CID 55272455

1268520-78-0

Structural Information

Molecular Formula
C9H20N2O2
SMILES
C[C@@H](CN)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H20N2O2/c1-7(6-10)11(5)8(12)13-9(2,3)4/h7H,6,10H2,1-5H3/t7-/m0/s1
InChIKey
NVUWUDUEKXDLAG-ZETCQYMHSA-N
Compound name
tert-butyl N-[(2S)-1-aminopropan-2-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

188.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.159756 146.0
[M+Na]+ 211.141698 151.0
[M-H]- 187.145204 147.3
[M+NH4]+ 206.186303 165.9
[M+K]+ 227.115638 152.8
[M+H-H2O]+ 171.149740 140.7
[M+HCOO]- 233.150681 168.0
[M+CH3COO]- 247.166331 191.9
[M+Na-2H]- 209.127146 148.4
[M]+ 188.15193142 147.2
[M]- 188.15302858 147.2
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