CID 38451

Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester

Structural Information

Molecular Formula
C16H21NO5
SMILES
CCCCC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C
InChI
InChI=1S/C16H21NO5/c1-5-6-10-13(18)17(4)15(19)20-11-8-7-9-12-14(11)22-16(2,3)21-12/h7-9H,5-6,10H2,1-4H3
InChIKey
XBLQSZWOGKGTMT-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methyl-N-pentanoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.14197 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.149246 171.9
[M+Na]+ 330.131188 178.7
[M-H]- 306.134694 179.0
[M+NH4]+ 325.175793 189.4
[M+K]+ 346.105128 180.6
[M+H-H2O]+ 290.139230 166.4
[M+HCOO]- 352.140171 192.3
[M+CH3COO]- 366.155821 209.1
[M+Na-2H]- 328.116636 175.3
[M]+ 307.14142142 179.5
[M]- 307.14251858 179.5
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