CID 137935520

2248332-65-0

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1(CCCC2C1C2)C=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-13(8-15)6-4-5-9-7-10(9)13/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKey
NYJIPAYHFZIPKD-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formyl-2-bicyclo[4.1.0]heptanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 157.0
[M+Na]+ 262.14137 166.6
[M+NH4]+ 257.18597 166.0
[M+K]+ 278.11531 161.8
[M-H]- 238.14487 164.2
[M+Na-2H]- 260.12682 163.2
[M]+ 239.15160 161.5
[M]- 239.15270 161.5
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.