CID 44629801

N-(tert-butoxycarbonyl)-2-methyl-1,3-diaminopropane

Structural Information

Molecular Formula
C9H20N2O2
SMILES
CC(CN)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C9H20N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKey
ORDMEFMUSKDHOL-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

188.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.15976 146.7
[M+Na]+ 211.14170 151.4
[M-H]- 187.14520 146.3
[M+NH4]+ 206.18630 165.8
[M+K]+ 227.11564 151.7
[M+H-H2O]+ 171.14974 141.4
[M+HCOO]- 233.15068 168.1
[M+CH3COO]- 247.16633 188.4
[M+Na-2H]- 209.12715 149.6
[M]+ 188.15193 146.5
[M]- 188.15303 146.5
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