CID 86775812

Tert-butyl n-[(4-formyloxan-4-yl)methyl]carbamate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NCC1(CCOCC1)C=O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-8-12(9-14)4-6-16-7-5-12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKey
ULADDBHAWFWFAK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-formyloxan-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 155.8
[M+Na]+ 266.13628 159.8
[M-H]- 242.13978 159.1
[M+NH4]+ 261.18088 173.5
[M+K]+ 282.11022 160.9
[M+H-H2O]+ 226.14432 150.7
[M+HCOO]- 288.14526 174.0
[M+CH3COO]- 302.16091 191.6
[M+Na-2H]- 264.12173 162.0
[M]+ 243.14651 155.9
[M]- 243.14761 155.9
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