CID 57480691

Tert-butyl n-[(1-formylcyclopentyl)methyl]carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NCC1(CCCC1)C=O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-12(9-14)6-4-5-7-12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKey
WWLURTGEXDWBKA-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-formylcyclopentyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

227.15215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 154.1
[M+Na]+ 250.14137 158.9
[M-H]- 226.14487 157.0
[M+NH4]+ 245.18597 175.6
[M+K]+ 266.11531 158.3
[M+H-H2O]+ 210.14941 149.6
[M+HCOO]- 272.15035 175.0
[M+CH3COO]- 286.16600 189.0
[M+Na-2H]- 248.12682 158.0
[M]+ 227.15160 154.0
[M]- 227.15270 154.0
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