CID 165650881

2792186-52-6

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC1(CCC(C1)(C=O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO3/c1-11(2,3)17-10(16)14-13(9-15)7-6-12(4,5)8-13/h9H,6-8H2,1-5H3,(H,14,16)
InChIKey
IWPQWOZNDJICPR-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-formyl-3,3-dimethylcyclopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 154.8
[M+Na]+ 264.15702 161.1
[M-H]- 240.16052 158.2
[M+NH4]+ 259.20162 178.1
[M+K]+ 280.13096 160.5
[M+H-H2O]+ 224.16506 151.8
[M+HCOO]- 286.16600 175.4
[M+CH3COO]- 300.18165 192.9
[M+Na-2H]- 262.14247 159.3
[M]+ 241.16725 156.0
[M]- 241.16835 156.0
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

No patent data available for this compound.