CID 102537974

Tert-butyl n-(2-amino-4-methylpentan-3-yl)carbamate

Structural Information

Molecular Formula
C11H24N2O2
SMILES
CC(C)C(C(C)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H24N2O2/c1-7(2)9(8(3)12)13-10(14)15-11(4,5)6/h7-9H,12H2,1-6H3,(H,13,14)
InChIKey
CCDGWMGDQSLCED-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-4-methylpentan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19106 155.7
[M+Na]+ 239.17300 159.2
[M-H]- 215.17650 155.2
[M+NH4]+ 234.21760 173.6
[M+K]+ 255.14694 160.2
[M+H-H2O]+ 199.18104 150.4
[M+HCOO]- 261.18198 174.5
[M+CH3COO]- 275.19763 196.3
[M+Na-2H]- 237.15845 155.2
[M]+ 216.18323 155.1
[M]- 216.18433 155.1
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

No patent data available for this compound.