CID 165840858

2825008-11-3

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1(CC2C1CCC2)C=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-13(8-15)7-9-5-4-6-10(9)13/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKey
YJFLQJBNMRKRTQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-formyl-6-bicyclo[3.2.0]heptanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 157.4
[M+Na]+ 262.14137 161.3
[M-H]- 238.14487 161.3
[M+NH4]+ 257.18597 172.9
[M+K]+ 278.11531 163.1
[M+H-H2O]+ 222.14941 148.6
[M+HCOO]- 284.15035 175.6
[M+CH3COO]- 298.16600 195.9
[M+Na-2H]- 260.12682 160.9
[M]+ 239.15160 166.3
[M]- 239.15270 166.3
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.