CID 36977

Trans-2-p-cumenyl-2-methyl-1,3-dioxolane-4-methanol carbamate

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=CC(=C(C(=C1)C)C2(OC[C@H](O2)COC(=O)N)C)C
InChI
InChI=1S/C15H21NO4/c1-9-5-10(2)13(11(3)6-9)15(4)19-8-12(20-15)7-18-14(16)17/h5-6,12H,7-8H2,1-4H3,(H2,16,17)/t12-,15?/m1/s1
InChIKey
SWCNFUWOEPLJIN-KEKZHRQWSA-N
Compound name
[(4S)-2-methyl-2-(2,4,6-trimethylphenyl)-1,3-dioxolan-4-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 164.5
[M+Na]+ 302.13628 172.3
[M-H]- 278.13978 172.6
[M+NH4]+ 297.18088 181.7
[M+K]+ 318.11022 172.6
[M+H-H2O]+ 262.14432 159.1
[M+HCOO]- 324.14526 184.9
[M+CH3COO]- 338.16091 202.3
[M+Na-2H]- 300.12173 166.3
[M]+ 279.14651 167.8
[M]- 279.14761 167.8
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

No patent data available for this compound.