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 156.2
[M+Na]+ 264.15702 162.7
[M+NH4]+ 259.20162 165.0
[M+K]+ 280.13096 157.3
[M-H]- 240.16052 155.4
[M+Na-2H]- 262.14247 161.1
[M]+ 241.16725 156.8
[M]- 241.16835 156.8
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.