CID 21637081

1,1-dimethylethyl n-((1s,3r)-3-hydroxycyclopentyl)carbamate

Structural Information

Molecular Formula
C10H19NO3
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)O
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+/m0/s1
InChIKey
SBUKINULYZANSP-JGVFFNPUSA-N
Compound name
tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

201.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.143766 147.3
[M+Na]+ 224.125708 152.2
[M-H]- 200.129214 149.2
[M+NH4]+ 219.170313 167.4
[M+K]+ 240.099648 151.6
[M+H-H2O]+ 184.133750 142.4
[M+HCOO]- 246.134691 167.1
[M+CH3COO]- 260.150341 183.0
[M+Na-2H]- 222.111156 149.7
[M]+ 201.13594142 145.3
[M]- 201.13703858 145.3
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

patents stripe