CID 7021464

Tert-butyl n-[(2s)-1-hydroxy-3-methylbutan-2-yl]carbamate

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

628
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 149.9
[M+Na]+ 226.14137 154.5
[M-H]- 202.14487 148.7
[M+NH4]+ 221.18597 168.3
[M+K]+ 242.11531 155.0
[M+H-H2O]+ 186.14941 145.2
[M+HCOO]- 248.15035 168.4
[M+CH3COO]- 262.16600 187.4
[M+Na-2H]- 224.12682 151.6
[M]+ 203.15160 151.0
[M]- 203.15270 151.0
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