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]+ 228.15943 152.0
[M+Na]+ 250.14137 161.0
[M-H]- 226.14487 157.0
[M+NH4]+ 245.18597 169.5
[M+K]+ 266.11531 160.5
[M+H-H2O]+ 210.14941 149.4
[M+HCOO]- 272.15035 172.9
[M+CH3COO]- 286.16600 195.0
[M+Na-2H]- 248.12682 158.5
[M]+ 227.15160 159.0
[M]- 227.15270 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.