CID 11962829

167081-31-4

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

142
Patents

215.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 151.9
[M+Na]+ 238.14137 156.4
[M-H]- 214.14487 153.6
[M+NH4]+ 233.18597 171.5
[M+K]+ 254.11531 155.6
[M+H-H2O]+ 198.14941 146.9
[M+HCOO]- 260.15035 171.4
[M+CH3COO]- 274.16600 186.0
[M+Na-2H]- 236.12682 153.7
[M]+ 215.15160 150.3
[M]- 215.15270 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