CID 14769741

732219-83-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

188.15248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.159756 146.7
[M+Na]+ 211.141698 151.4
[M-H]- 187.145204 146.3
[M+NH4]+ 206.186303 165.8
[M+K]+ 227.115638 151.7
[M+H-H2O]+ 171.149740 141.4
[M+HCOO]- 233.150681 168.1
[M+CH3COO]- 247.166331 188.4
[M+Na-2H]- 209.127146 149.6
[M]+ 188.15193142 146.5
[M]- 188.15302858 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