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

15
Patents

188.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.15976 146.0
[M+Na]+ 211.14170 151.0
[M-H]- 187.14520 147.3
[M+NH4]+ 206.18630 165.9
[M+K]+ 227.11564 152.8
[M+H-H2O]+ 171.14974 140.7
[M+HCOO]- 233.15068 168.0
[M+CH3COO]- 247.16633 191.9
[M+Na-2H]- 209.12715 148.4
[M]+ 188.15193 147.2
[M]- 188.15303 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