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

0
Patents

307.14197 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 171.9
[M+Na]+ 330.13119 178.7
[M-H]- 306.13469 179.0
[M+NH4]+ 325.17579 189.4
[M+K]+ 346.10513 180.6
[M+H-H2O]+ 290.13923 166.4
[M+HCOO]- 352.14017 192.3
[M+CH3COO]- 366.15582 209.1
[M+Na-2H]- 328.11664 175.3
[M]+ 307.14142 179.5
[M]- 307.14252 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