CID 84725941

Tert-butyl n-[2-(cyclopropylmethyl)-3-oxopropyl]carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NCC(CC1CC1)C=O
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-10(8-14)6-9-4-5-9/h8-10H,4-7H2,1-3H3,(H,13,15)
InChIKey
VQIBLZZFDRFZPS-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(cyclopropylmethyl)-3-oxopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.9
[M+Na]+ 250.14137 162.6
[M+NH4]+ 245.18597 160.3
[M+K]+ 266.11531 160.4
[M-H]- 226.14487 159.9
[M+Na-2H]- 248.12682 158.8
[M]+ 227.15160 157.6
[M]- 227.15270 157.6
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.