CID 10352385

(1-formylcyclopropyl)carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)OC(=O)NC1(CC1)C=O
InChI
InChI=1S/C9H15NO3/c1-8(2,3)13-7(12)10-9(6-11)4-5-9/h6H,4-5H2,1-3H3,(H,10,12)
InChIKey
ACMHCEYCNRURST-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-formylcyclopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

424
Patents

185.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.6
[M+Na]+ 208.094418 150.3
[M-H]- 184.097924 146.6
[M+NH4]+ 203.139023 158.5
[M+K]+ 224.068358 149.5
[M+H-H2O]+ 168.102460 137.5
[M+HCOO]- 230.103401 164.0
[M+CH3COO]- 244.119051 185.5
[M+Na-2H]- 206.079866 148.7
[M]+ 185.10465142 146.6
[M]- 185.10574858 146.6
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

patents stripe