CID 7021798

H-leu-otbu-oh

Structural Information

Molecular Formula
C10H21NO2
SMILES
CC(C)C[C@H](C(=O)OC(C)(C)C)N
InChI
InChI=1S/C10H21NO2/c1-7(2)6-8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3/t8-/m1/s1
InChIKey
HBEJJYHFTZDAHZ-MRVPVSSYSA-N
Compound name
tert-butyl (2R)-2-amino-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1429
Patents

187.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.16451 146.7
[M+Na]+ 210.14645 151.6
[M-H]- 186.14995 146.3
[M+NH4]+ 205.19105 166.1
[M+K]+ 226.12039 152.2
[M+H-H2O]+ 170.15449 142.0
[M+HCOO]- 232.15543 165.8
[M+CH3COO]- 246.17108 188.0
[M+Na-2H]- 208.13190 147.8
[M]+ 187.15668 147.2
[M]- 187.15778 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe