CID 17894354

Oxolan-3-yl carbamate

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1COCC1OC(=O)N
InChI
InChI=1S/C5H9NO3/c6-5(7)9-4-1-2-8-3-4/h4H,1-3H2,(H2,6,7)
InChIKey
NVLMGKWDOHQMGY-UHFFFAOYSA-N
Compound name
oxolan-3-yl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

131.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 124.8
[M+Na]+ 154.047458 130.8
[M-H]- 130.050964 128.2
[M+NH4]+ 149.092063 146.2
[M+K]+ 170.021398 132.3
[M+H-H2O]+ 114.055500 119.5
[M+HCOO]- 176.056441 147.7
[M+CH3COO]- 190.072091 169.5
[M+Na-2H]- 152.032906 129.8
[M]+ 131.05769142 122.7
[M]- 131.05878858 122.7
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