CID 45092293

186202-82-4

Structural Information

Molecular Formula
C11H24N2O2
SMILES
CC[C@H](C)[C@@H](CN)N(C(=O)O)C(C)(C)C
InChI
InChI=1S/C11H24N2O2/c1-6-8(2)9(7-12)13(10(14)15)11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,14,15)/t8-,9+/m0/s1
InChIKey
TUMYKTXEYDOUSE-DTWKUNHWSA-N
Compound name
[(2S,3S)-1-amino-3-methylpentan-2-yl]-tert-butylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.18378 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.191056 155.5
[M+Na]+ 239.172998 158.9
[M-H]- 215.176504 155.0
[M+NH4]+ 234.217603 173.3
[M+K]+ 255.146938 159.8
[M+H-H2O]+ 199.181040 150.1
[M+HCOO]- 261.181981 174.3
[M+CH3COO]- 275.197631 197.0
[M+Na-2H]- 237.158446 155.0
[M]+ 216.18323142 154.9
[M]- 216.18432858 154.9
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.