CID 7021464

N-boc-l-valinol

Structural Information

Molecular Formula
C10H21NO3
SMILES
CC(C)[C@@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m1/s1
InChIKey
OOQRRYDVICNJGC-MRVPVSSYSA-N
Compound name
tert-butyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

615
Patents

203.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15943 149.1
[M+Na]+ 226.14137 155.3
[M+NH4]+ 221.18597 154.3
[M+K]+ 242.11531 153.3
[M-H]- 202.14487 146.1
[M+Na-2H]- 224.12682 149.5
[M]+ 203.15160 148.6
[M]- 203.15270 148.6
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

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