CID 16217741

Tert-butyl n-(1-formylcyclopentyl)carbamate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)NC1(CCCC1)C=O
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(8-13)6-4-5-7-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKey
PJHYKFQYQMRNJR-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-formylcyclopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

213.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.143766 149.5
[M+Na]+ 236.125708 154.8
[M-H]- 212.129214 152.6
[M+NH4]+ 231.170313 171.6
[M+K]+ 252.099648 154.4
[M+H-H2O]+ 196.133750 145.2
[M+HCOO]- 258.134691 170.8
[M+CH3COO]- 272.150341 186.0
[M+Na-2H]- 234.111156 153.9
[M]+ 213.13594142 149.1
[M]- 213.13703858 149.1
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