CID 165996788

Tert-butyl n-[(1-formyl-2,2-dimethylcyclopropyl)methyl]carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CC1(CNC(=O)OC(C)(C)C)C=O)C
InChI
InChI=1S/C12H21NO3/c1-10(2,3)16-9(15)13-7-12(8-14)6-11(12,4)5/h8H,6-7H2,1-5H3,(H,13,15)
InChIKey
XJNVOPNWCKSZTR-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-formyl-2,2-dimethylcyclopropyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 152.0
[M+Na]+ 250.141368 161.0
[M-H]- 226.144874 157.0
[M+NH4]+ 245.185973 169.5
[M+K]+ 266.115308 160.5
[M+H-H2O]+ 210.149410 149.4
[M+HCOO]- 272.150351 172.9
[M+CH3COO]- 286.166001 195.0
[M+Na-2H]- 248.126816 158.5
[M]+ 227.15160142 159.0
[M]- 227.15269858 159.0
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.