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]+ 280.154336 164.5
[M+Na]+ 302.136278 172.3
[M-H]- 278.139784 172.6
[M+NH4]+ 297.180883 181.7
[M+K]+ 318.110218 172.6
[M+H-H2O]+ 262.144320 159.1
[M+HCOO]- 324.145261 184.9
[M+CH3COO]- 338.160911 202.3
[M+Na-2H]- 300.121726 166.3
[M]+ 279.14651142 167.8
[M]- 279.14760858 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.