CID 11962829

664341-72-4

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)CO
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-9-5-4-8(6-9)7-13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKey
VZZBOERLWPQMCJ-BDAKNGLRSA-N
Compound name
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

215.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 151.9
[M+Na]+ 238.141368 156.4
[M-H]- 214.144874 153.6
[M+NH4]+ 233.185973 171.5
[M+K]+ 254.115308 155.6
[M+H-H2O]+ 198.149410 146.9
[M+HCOO]- 260.150351 171.4
[M+CH3COO]- 274.166001 186.0
[M+Na-2H]- 236.126816 153.7
[M]+ 215.15160142 150.3
[M]- 215.15269858 150.3
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