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]+ 217.191056 155.7
[M+Na]+ 239.172998 159.2
[M-H]- 215.176504 155.2
[M+NH4]+ 234.217603 173.6
[M+K]+ 255.146938 160.2
[M+H-H2O]+ 199.181040 150.4
[M+HCOO]- 261.181981 174.5
[M+CH3COO]- 275.197631 196.3
[M+Na-2H]- 237.158446 155.2
[M]+ 216.18323142 155.1
[M]- 216.18432858 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.