CID 55525

Carbamic acid, ((1,1-dimethylethoxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Structural Information

Molecular Formula
C16H23NO4S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSOC(C)(C)C)C
InChI
InChI=1S/C16H23NO4S/c1-15(2,3)21-22-10-17-14(18)19-12-8-6-7-11-9-16(4,5)20-13(11)12/h6-8H,9-10H2,1-5H3,(H,17,18)
InChIKey
USOVBGDZDAHVDS-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(2-methylpropan-2-yl)oxysulfanylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.13477 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14205 176.0
[M+Na]+ 348.12399 182.9
[M-H]- 324.12749 181.0
[M+NH4]+ 343.16859 194.4
[M+K]+ 364.09793 182.0
[M+H-H2O]+ 308.13203 171.4
[M+HCOO]- 370.13297 191.0
[M+CH3COO]- 384.14862 207.1
[M+Na-2H]- 346.10944 179.7
[M]+ 325.13422 183.7
[M]- 325.13532 183.7
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